smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)([NH3+])CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000159979670 173694650 /nfs/dbraw/zinc/69/46/50/173694650.db2.gz RDEVJLOCZSTVRG-UHFFFAOYSA-N 1 0 353.488 1.257 20 70 FDIDRO CC(C)([NH3+])CNC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000160047694 173696116 /nfs/dbraw/zinc/69/61/16/173696116.db2.gz ANBLSHWELVPIOE-UHFFFAOYSA-N 1 0 363.277 1.217 20 70 FDIDRO COc1ccc(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160269543 173705242 /nfs/dbraw/zinc/70/52/42/173705242.db2.gz LDJYDICUMNIIDY-RBUKOAKNSA-N 1 0 362.470 1.958 20 70 FDIDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)CCC(=O)OCc2ccccc2)C1 ZINC000160906338 173725287 /nfs/dbraw/zinc/72/52/87/173725287.db2.gz BKUZNCYSTWVDQI-KRWDZBQOSA-N 1 0 368.499 1.723 20 70 FDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000161464073 173742976 /nfs/dbraw/zinc/74/29/76/173742976.db2.gz QGWAWVIZTXZMKN-LBPRGKRZSA-N 1 0 374.812 1.950 20 70 FDIDRO CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000216970633 258394988 /nfs/dbraw/zinc/39/49/88/258394988.db2.gz RFPRMMZLZXKHKU-FQEVSTJZSA-N 1 0 367.497 1.653 20 70 FDIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000159372878 524656711 /nfs/dbraw/zinc/65/67/11/524656711.db2.gz GBWMPSLCJACUCW-MSOLQXFVSA-N 1 0 374.460 1.345 20 70 FDIDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)CCNS(C)(=O)=O ZINC000159448774 524672041 /nfs/dbraw/zinc/67/20/41/524672041.db2.gz XOWWTRZXDIRIHR-HZPDHXFCSA-N 1 0 353.532 1.624 20 70 FDIDRO CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC000159447846 524672711 /nfs/dbraw/zinc/67/27/11/524672711.db2.gz JEPJJFFWVOYXEO-QGZVFWFLSA-N 1 0 366.506 1.328 20 70 FDIDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCNc2nccc(C(F)(F)F)n2)C1 ZINC000159450457 524672827 /nfs/dbraw/zinc/67/28/27/524672827.db2.gz NVSYWTIGLZXGCK-NSHDSACASA-N 1 0 360.384 1.548 20 70 FDIDRO COc1ccc(CN(C)C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1OC ZINC000159460367 524675917 /nfs/dbraw/zinc/67/59/17/524675917.db2.gz CKUXRDCAKLALBH-CVEARBPZSA-N 1 0 350.459 1.755 20 70 FDIDRO Cc1ccccc1CN1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000159562406 524697992 /nfs/dbraw/zinc/69/79/92/524697992.db2.gz ISWIEOHNJUDLFV-PMACEKPBSA-N 1 0 359.514 1.732 20 70 FDIDRO COc1ccccc1N1CC[C@@H](NC(=O)N(CC[NH+](C)C)C(C)C)C1=O ZINC000159599971 524706795 /nfs/dbraw/zinc/70/67/95/524706795.db2.gz BUHJSIHKTHWFJL-OAHLLOKOSA-N 1 0 362.474 1.782 20 70 FDIDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cccc(=O)n2C)c1 ZINC000159656347 524715075 /nfs/dbraw/zinc/71/50/75/524715075.db2.gz ZSNCICCPTUCXIV-UHFFFAOYSA-N 1 0 370.453 1.709 20 70 FDIDRO [NH3+]CCNC(=O)[C@@H]1CCCN(c2ncc(Cl)cc2Br)C1 ZINC000159661959 524716891 /nfs/dbraw/zinc/71/68/91/524716891.db2.gz OYNMBFGSUFWMNP-SECBINFHSA-N 1 0 361.671 1.789 20 70 FDIDRO [NH3+][C@@H]1CCC[C@H]1C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000159662521 524717575 /nfs/dbraw/zinc/71/75/75/524717575.db2.gz IRAJXYOEWIJOTO-IAGOWNOFSA-N 1 0 365.499 1.224 20 70 FDIDRO C[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)C[C@H]1CCC[C@@H]1O ZINC000159706825 524724287 /nfs/dbraw/zinc/72/42/87/524724287.db2.gz ORGDACGBRCYTBR-MOPGFXCFSA-N 1 0 356.470 1.640 20 70 FDIDRO CN(C)C(=O)Nc1cccc(C(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000159781831 524737645 /nfs/dbraw/zinc/73/76/45/524737645.db2.gz VYTUAUYSOCIRGZ-UHFFFAOYSA-N 1 0 361.490 1.538 20 70 FDIDRO CC(C)[C@H](CNC(=O)N(C)CCC(=O)OC(C)(C)C)[NH+]1CCN(C)CC1 ZINC000159904150 524764909 /nfs/dbraw/zinc/76/49/09/524764909.db2.gz BXSHHAFHLSDVHM-INIZCTEOSA-N 1 0 370.538 1.632 20 70 FDIDRO COc1ccc(-c2n[nH]cc2C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000159924813 524768184 /nfs/dbraw/zinc/76/81/84/524768184.db2.gz RAEDSUROVQYKRV-HNNXBMFYSA-N 1 0 358.442 1.662 20 70 FDIDRO CCOc1ccc2c(c1)C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)CO2 ZINC000159942078 524772354 /nfs/dbraw/zinc/77/23/54/524772354.db2.gz WQTDHZYVRNIMBY-SJORKVTESA-N 1 0 362.470 1.599 20 70 FDIDRO O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159991309 524785713 /nfs/dbraw/zinc/78/57/13/524785713.db2.gz NMVDNCHIUYGICW-RBUKOAKNSA-N 1 0 373.497 1.183 20 70 FDIDRO C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000160011507 524789814 /nfs/dbraw/zinc/78/98/14/524789814.db2.gz CEZSEQJYLHTSGB-QFBILLFUSA-N 1 0 362.518 1.824 20 70 FDIDRO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000160053487 524796816 /nfs/dbraw/zinc/79/68/16/524796816.db2.gz HHCCGEQEKMZVQR-RBUKOAKNSA-N 1 0 371.481 1.139 20 70 FDIDRO CCn1nccc1C[NH2+]Cc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000160050807 524797879 /nfs/dbraw/zinc/79/78/79/524797879.db2.gz MXKWOZZPYPMHBI-UHFFFAOYSA-N 1 0 371.485 1.854 20 70 FDIDRO CC(C)([NH3+])CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000160057674 524798613 /nfs/dbraw/zinc/79/86/13/524798613.db2.gz YRMBFVCMCWDQRE-UHFFFAOYSA-N 1 0 373.906 1.982 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000160076632 524803934 /nfs/dbraw/zinc/80/39/34/524803934.db2.gz AEECPKGOTPNNOB-CHWSQXEVSA-N 1 0 350.463 1.968 20 70 FDIDRO CN(C)c1nc(CN2CCN(CC[N@H+](C)Cc3ccccc3)CC2)ns1 ZINC000160119158 524811718 /nfs/dbraw/zinc/81/17/18/524811718.db2.gz QLXUUGCMGPKTLX-UHFFFAOYSA-N 1 0 374.558 1.854 20 70 FDIDRO C[NH+](C)C[C@H](O)COc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 ZINC000160114158 524812345 /nfs/dbraw/zinc/81/23/45/524812345.db2.gz RNTZAAGIWXIRHR-HNNXBMFYSA-N 1 0 368.430 1.928 20 70 FDIDRO CC[C@H](CNC(=O)C(=O)Nc1nocc1C)[N@@H+]1CCc2ccccc2C1 ZINC000160171540 524824304 /nfs/dbraw/zinc/82/43/04/524824304.db2.gz WJBKWWIRQVUDLV-MRXNPFEDSA-N 1 0 356.426 1.875 20 70 FDIDRO O=C(CN[C@H](c1ccccc1)C(F)(F)F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160205464 524831581 /nfs/dbraw/zinc/83/15/81/524831581.db2.gz GGYVRDYVBDSVBH-NVXWUHKLSA-N 1 0 373.419 1.843 20 70 FDIDRO CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1C ZINC000160201830 524831796 /nfs/dbraw/zinc/83/17/96/524831796.db2.gz POBTUUSWZOXPRE-AWEZNQCLSA-N 1 0 351.447 1.385 20 70 FDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000160306679 524853450 /nfs/dbraw/zinc/85/34/50/524853450.db2.gz BWBCYTRJYPZUMA-HUUCEWRRSA-N 1 0 356.492 1.243 20 70 FDIDRO CC(C)Oc1cncc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000160368645 524868634 /nfs/dbraw/zinc/86/86/34/524868634.db2.gz PKNUIPIOMCSZGH-KRWDZBQOSA-N 1 0 362.474 1.541 20 70 FDIDRO CCc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)[nH]c(C)c1C(N)=O ZINC000160370878 524871323 /nfs/dbraw/zinc/87/13/23/524871323.db2.gz NKCJAUWLBHGVJE-UHFFFAOYSA-N 1 0 370.457 1.384 20 70 FDIDRO O=C(CNC(=O)c1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160379267 524874262 /nfs/dbraw/zinc/87/42/62/524874262.db2.gz HCBALBBAIPGOHP-QZTJIDSGSA-N 1 0 359.470 1.301 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1CC ZINC000160412795 524882051 /nfs/dbraw/zinc/88/20/51/524882051.db2.gz GCJVNOMHFBJGIG-CXAGYDPISA-N 1 0 361.490 1.520 20 70 FDIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000160425598 524884008 /nfs/dbraw/zinc/88/40/08/524884008.db2.gz IQPGRZNWSHKWTR-OAHLLOKOSA-N 1 0 365.478 1.095 20 70 FDIDRO COCCCOc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160505032 524905087 /nfs/dbraw/zinc/90/50/87/524905087.db2.gz ZIBFUMJZKUOJBY-KRWDZBQOSA-N 1 0 350.459 1.679 20 70 FDIDRO COc1c(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(C)nn1C ZINC000160513804 524906483 /nfs/dbraw/zinc/90/64/83/524906483.db2.gz RMMODGHBUYOFRL-CVEARBPZSA-N 1 0 358.442 1.102 20 70 FDIDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160545955 524912036 /nfs/dbraw/zinc/91/20/36/524912036.db2.gz FRGIWZWKKFVBFS-MRXNPFEDSA-N 1 0 360.462 1.960 20 70 FDIDRO COCCNc1nc(NCc2cc(C)no2)nc(NCc2cc(C)no2)[nH+]1 ZINC000160546969 524913364 /nfs/dbraw/zinc/91/33/64/524913364.db2.gz SRIJHRRRXACQNG-UHFFFAOYSA-N 1 0 374.405 1.747 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1n[nH]c(=O)c2ccccc21 ZINC000160553315 524914147 /nfs/dbraw/zinc/91/41/47/524914147.db2.gz XIXLIDVKUJHFNV-IAGOWNOFSA-N 1 0 370.453 1.421 20 70 FDIDRO O=C(CNc1cccc(F)c1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000160557014 524914748 /nfs/dbraw/zinc/91/47/48/524914748.db2.gz HFPKUQFBZTUEEC-RTBURBONSA-N 1 0 357.429 1.989 20 70 FDIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000160584450 524923384 /nfs/dbraw/zinc/92/33/84/524923384.db2.gz BVIUDYVXZURWHA-HIFRSBDPSA-N 1 0 359.392 1.544 20 70 FDIDRO CC(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160639918 524935259 /nfs/dbraw/zinc/93/52/59/524935259.db2.gz QMRUQOWDCKOVGR-MRXNPFEDSA-N 1 0 368.499 1.445 20 70 FDIDRO CNC(=O)c1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160679442 524946534 /nfs/dbraw/zinc/94/65/34/524946534.db2.gz NCTRRKTYCGRWRD-MSOLQXFVSA-N 1 0 359.470 1.544 20 70 FDIDRO C[NH+](C)C1CCN(CCNC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160678450 524947802 /nfs/dbraw/zinc/94/78/02/524947802.db2.gz YTGBRXWFXZHCDQ-UHFFFAOYSA-N 1 0 362.400 1.593 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(-n2cnnn2)c1 ZINC000160728299 524958657 /nfs/dbraw/zinc/95/86/57/524958657.db2.gz JYAPGCCWPSHIJF-MSOLQXFVSA-N 1 0 370.457 1.160 20 70 FDIDRO CCCC(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160755002 524965136 /nfs/dbraw/zinc/96/51/36/524965136.db2.gz BALUOLFJFQNAEK-IRXDYDNUSA-N 1 0 350.507 1.809 20 70 FDIDRO O=C(NC[C@H](O)COc1ccc(F)cc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160785524 524971014 /nfs/dbraw/zinc/97/10/14/524971014.db2.gz CXWVSWJVFIBXRM-WBVHZDCISA-N 1 0 365.449 1.882 20 70 FDIDRO COCCN(CC[NH+](C)C)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160822268 524977621 /nfs/dbraw/zinc/97/76/21/524977621.db2.gz GUOQNETXJCXLHE-UHFFFAOYSA-N 1 0 351.373 1.159 20 70 FDIDRO COC[C@@H](NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000160859065 524984019 /nfs/dbraw/zinc/98/40/19/524984019.db2.gz QREVVQQSAVTTQT-MRXNPFEDSA-N 1 0 368.522 1.337 20 70 FDIDRO Cc1nnnn1-c1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000160938013 525000137 /nfs/dbraw/zinc/00/01/37/525000137.db2.gz LKNJEIVOLVARDH-RHSMWYFYSA-N 1 0 355.446 1.919 20 70 FDIDRO COc1cccc(-c2nc(C)c(C(=O)NCCN3CC[NH+](C)CC3)[nH]2)c1 ZINC000161144293 525042786 /nfs/dbraw/zinc/04/27/86/525042786.db2.gz IGEJIOCYMNKZQH-UHFFFAOYSA-N 1 0 357.458 1.371 20 70 FDIDRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 ZINC000161164368 525044769 /nfs/dbraw/zinc/04/47/69/525044769.db2.gz PYMLTEMRMYQGTJ-QGZVFWFLSA-N 1 0 372.473 1.696 20 70 FDIDRO CCC(=O)N1CC[C@@H](C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000161180182 525050197 /nfs/dbraw/zinc/05/01/97/525050197.db2.gz JJKZNPPFZASLSI-QGZVFWFLSA-N 1 0 372.513 1.805 20 70 FDIDRO COCC[N@H+](C)CCNC(=O)CSc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000161176577 525050257 /nfs/dbraw/zinc/05/02/57/525050257.db2.gz FHTFTMFNRIXIII-UHFFFAOYSA-N 1 0 363.487 1.567 20 70 FDIDRO Cc1c(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)nnn1C1CC[NH2+]CC1 ZINC000161214841 525057065 /nfs/dbraw/zinc/05/70/65/525057065.db2.gz JLJIZROMQRKVBK-JKSUJKDBSA-N 1 0 357.462 1.621 20 70 FDIDRO CNC(=O)[C@H]1CCCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000161219562 525058968 /nfs/dbraw/zinc/05/89/68/525058968.db2.gz XLGQNLJHIMMBBC-RDJZCZTQSA-N 1 0 373.501 1.775 20 70 FDIDRO CC[N@@H+]1CC[C@H](CNC(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)C1 ZINC000161327373 525082719 /nfs/dbraw/zinc/08/27/19/525082719.db2.gz JCPDXEQHHPTRFR-DYVFJYSZSA-N 1 0 353.413 1.990 20 70 FDIDRO CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)C1 ZINC000161327491 525082920 /nfs/dbraw/zinc/08/29/20/525082920.db2.gz JCPDXEQHHPTRFR-GUYCJALGSA-N 1 0 353.413 1.990 20 70 FDIDRO COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCN(c3ccccn3)C2)c1 ZINC000218103869 537458477 /nfs/dbraw/zinc/45/84/77/537458477.db2.gz VESPLTRWLJDOJE-ZDUSSCGKSA-N 1 0 363.439 1.656 20 70 FDIDRO O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000161155013 258263481 /nfs/dbraw/zinc/26/34/81/258263481.db2.gz VJJGCQYRLDJQBO-DLBZAZTESA-N 1 0 360.506 1.891 20 70 FDIDRO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCC1([NH3+])CCCCC1)C2=O ZINC000159668957 173685329 /nfs/dbraw/zinc/68/53/29/173685329.db2.gz HZECWQITMKHIOG-FZKQIMNGSA-N 1 0 350.463 1.265 20 70 FDIDRO Cc1conc1NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000160456065 173712046 /nfs/dbraw/zinc/71/20/46/173712046.db2.gz CNQTYWQORZUPKF-UHFFFAOYSA-N 1 0 360.389 1.841 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)co1 ZINC000160912817 173725308 /nfs/dbraw/zinc/72/53/08/173725308.db2.gz FAJUFXWIVROBKB-WFASDCNBSA-N 1 0 367.471 1.277 20 70 FDIDRO Cc1c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cnn1C1CCOCC1 ZINC000159361177 524652440 /nfs/dbraw/zinc/65/24/40/524652440.db2.gz QPEQAWQJCRLLPC-OAHLLOKOSA-N 1 0 363.506 1.156 20 70 FDIDRO Cc1cccc(-n2cc(C(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)nn2)c1 ZINC000159394589 524659771 /nfs/dbraw/zinc/65/97/71/524659771.db2.gz BXSRYCZJOUSDBW-HOTGVXAUSA-N 1 0 357.458 1.805 20 70 FDIDRO COCCN(CC[NH+](C)C)C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159419263 524666236 /nfs/dbraw/zinc/66/62/36/524666236.db2.gz POMKYDRROQQZCJ-NSHDSACASA-N 1 0 362.396 1.570 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(-c3nnco3)c2)C1 ZINC000159427199 524667212 /nfs/dbraw/zinc/66/72/12/524667212.db2.gz LYLMJUCPEUEPSY-AWEZNQCLSA-N 1 0 371.441 1.769 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCOCC2)CC1 ZINC000159521943 524688945 /nfs/dbraw/zinc/68/89/45/524688945.db2.gz GIOSBMFIUAILSI-MRXNPFEDSA-N 1 0 366.531 1.859 20 70 FDIDRO CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159547910 524695934 /nfs/dbraw/zinc/69/59/34/524695934.db2.gz CUAFNQRUGOXJHT-CWRNSKLLSA-N 1 0 365.499 1.730 20 70 FDIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000159552154 524696162 /nfs/dbraw/zinc/69/61/62/524696162.db2.gz YOFARTHHWWQSEN-MRXNPFEDSA-N 1 0 358.486 1.960 20 70 FDIDRO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C[C@@H]1CCC[C@@H]1O ZINC000159583279 524701894 /nfs/dbraw/zinc/70/18/94/524701894.db2.gz HIUZFXJHZCJFEI-LRDDRELGSA-N 1 0 363.849 1.952 20 70 FDIDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159622646 524710928 /nfs/dbraw/zinc/71/09/28/524710928.db2.gz DNDCCDGXDGTLFY-SJORKVTESA-N 1 0 362.470 1.899 20 70 FDIDRO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCC1([NH3+])CCCCC1)C2=O ZINC000159669078 524716130 /nfs/dbraw/zinc/71/61/30/524716130.db2.gz HZECWQITMKHIOG-SCLBCKFNSA-N 1 0 350.463 1.265 20 70 FDIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000159664564 524716190 /nfs/dbraw/zinc/71/61/90/524716190.db2.gz BWQWCKKASYZWQZ-WMLDXEAASA-N 1 0 367.515 1.470 20 70 FDIDRO COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159669400 524716547 /nfs/dbraw/zinc/71/65/47/524716547.db2.gz CEIZICXBBJVQEB-KUCQQTCKSA-N 1 0 359.470 1.991 20 70 FDIDRO O=C(CN1CCN(c2ccccn2)CC1)NCC[NH2+]C1CCCCCC1 ZINC000159695658 524723362 /nfs/dbraw/zinc/72/33/62/524723362.db2.gz XSZIXBASGCJAEX-UHFFFAOYSA-N 1 0 359.518 1.632 20 70 FDIDRO CC1CC[NH+](CCCNC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000159716757 524724600 /nfs/dbraw/zinc/72/46/00/524724600.db2.gz XFUSPWOEBRBLEI-FQEVSTJZSA-N 1 0 372.469 1.593 20 70 FDIDRO O=C(CS(=O)(=O)CCCc1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159728273 524729160 /nfs/dbraw/zinc/72/91/60/524729160.db2.gz WMVDEVWNBIWKAN-CALCHBBNSA-N 1 0 350.484 1.387 20 70 FDIDRO CN1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c2c[nH+]ccc21 ZINC000159816498 524745100 /nfs/dbraw/zinc/74/51/00/524745100.db2.gz YSDUABFPMUSKCG-UHFFFAOYSA-N 1 0 372.450 1.956 20 70 FDIDRO NC(=O)CC1CC[NH+](Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000159823650 524746813 /nfs/dbraw/zinc/74/68/13/524746813.db2.gz GEBSCKPUMNXVEF-UHFFFAOYSA-N 1 0 359.470 1.775 20 70 FDIDRO CN1C(=O)C[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000159907756 524765950 /nfs/dbraw/zinc/76/59/50/524765950.db2.gz ATWJIKOXYSBODW-JENIJYKNSA-N 1 0 359.470 1.169 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCCCN2C(=O)COc3ccccc32)CC1 ZINC000159908329 524766063 /nfs/dbraw/zinc/76/60/63/524766063.db2.gz HFHPOIUZALXZEQ-UHFFFAOYSA-N 1 0 360.458 1.539 20 70 FDIDRO CC(C)([NH3+])CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000159989727 524784969 /nfs/dbraw/zinc/78/49/69/524784969.db2.gz AGFKHASUUPOXAD-LBPRGKRZSA-N 1 0 354.248 1.656 20 70 FDIDRO C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)CN1CCOCC1 ZINC000160017411 524789585 /nfs/dbraw/zinc/78/95/85/524789585.db2.gz ZDWBMPFYFJQQDK-AZUAARDMSA-N 1 0 374.529 1.919 20 70 FDIDRO CC(C)[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCCCC2)[NH+]1CCN(C)CC1 ZINC000160050579 524797699 /nfs/dbraw/zinc/79/76/99/524797699.db2.gz YKPHTUMCETYBJH-LJQANCHMSA-N 1 0 374.529 1.646 20 70 FDIDRO Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NCCC[NH3+] ZINC000160051197 524797735 /nfs/dbraw/zinc/79/77/35/524797735.db2.gz XOIQHTMWHYWCKJ-UHFFFAOYSA-N 1 0 355.364 1.910 20 70 FDIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000160111125 524810983 /nfs/dbraw/zinc/81/09/83/524810983.db2.gz YRUPSKNVLFSRDY-UHFFFAOYSA-N 1 0 372.473 1.157 20 70 FDIDRO Cc1noc(C)c1[C@H](C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000160157570 524819774 /nfs/dbraw/zinc/81/97/74/524819774.db2.gz SPRXUFORCZQLOG-CJNGLKHVSA-N 1 0 362.474 1.550 20 70 FDIDRO CC(=O)NC1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000160163279 524823140 /nfs/dbraw/zinc/82/31/40/524823140.db2.gz ZMSDLAPBZJKPNQ-BEFAXECRSA-N 1 0 358.486 1.960 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000160168035 524823381 /nfs/dbraw/zinc/82/33/81/524823381.db2.gz XDTRNSUDYWIJTG-IAGOWNOFSA-N 1 0 360.454 1.956 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000160184455 524827417 /nfs/dbraw/zinc/82/74/17/524827417.db2.gz LELNKDCNBYCYPC-UHFFFAOYSA-N 1 0 374.441 1.741 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)NC2CCC(C[NH+](C)C)CC2)c1CC ZINC000160194087 524828259 /nfs/dbraw/zinc/82/82/59/524828259.db2.gz QFNLFOOHMBNSPP-UHFFFAOYSA-N 1 0 363.506 1.814 20 70 FDIDRO CCc1nnc(CN[C@]2(C(=O)OC)CCCN(Cc3ccccc3)C2)[nH]1 ZINC000160206250 524831986 /nfs/dbraw/zinc/83/19/86/524831986.db2.gz YGLGMQPBZXXZMA-LJQANCHMSA-N 1 0 357.458 1.665 20 70 FDIDRO CC1CC[NH+](CCCNC(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 ZINC000160215398 524833813 /nfs/dbraw/zinc/83/38/13/524833813.db2.gz RCBHVBWBYCMVIZ-UHFFFAOYSA-N 1 0 357.476 1.382 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000160232513 524836764 /nfs/dbraw/zinc/83/67/64/524836764.db2.gz RAEXVTTYFDLMEU-MRXNPFEDSA-N 1 0 365.499 1.345 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000160241829 524838132 /nfs/dbraw/zinc/83/81/32/524838132.db2.gz NXQLGHACMOXFEN-OAHLLOKOSA-N 1 0 358.442 1.773 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000160248981 524841864 /nfs/dbraw/zinc/84/18/64/524841864.db2.gz VLLUSKDKPPWHBJ-LBPRGKRZSA-N 1 0 364.446 1.196 20 70 FDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC000160311559 524856565 /nfs/dbraw/zinc/85/65/65/524856565.db2.gz JBTFQJVGTVVZLA-HNNXBMFYSA-N 1 0 364.405 1.441 20 70 FDIDRO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)nnn1-c1ccc(C)cc1 ZINC000160329291 524858551 /nfs/dbraw/zinc/85/85/51/524858551.db2.gz LHUSILMZRSNOQH-QGZVFWFLSA-N 1 0 357.458 1.461 20 70 FDIDRO CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160382334 524872942 /nfs/dbraw/zinc/87/29/42/524872942.db2.gz BKTZXCFMDFESLD-CQSZACIVSA-N 1 0 353.850 1.875 20 70 FDIDRO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000160395142 524877503 /nfs/dbraw/zinc/87/75/03/524877503.db2.gz OTTOAJVGECOYIV-LSDHHAIUSA-N 1 0 351.834 1.330 20 70 FDIDRO C[C@H]1C[C@H](NC(=O)N(C)CCN2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000160402286 524880084 /nfs/dbraw/zinc/88/00/84/524880084.db2.gz CXVJNFHBEAIYKM-HKUYNNGSSA-N 1 0 360.502 1.623 20 70 FDIDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1)C1CC1 ZINC000160423455 524885481 /nfs/dbraw/zinc/88/54/81/524885481.db2.gz GIVWYATWSJPYGW-UHFFFAOYSA-N 1 0 359.430 1.433 20 70 FDIDRO Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000160460730 524892876 /nfs/dbraw/zinc/89/28/76/524892876.db2.gz HNAIEWAGVNPEEF-KBPBESRZSA-N 1 0 353.488 1.493 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccnc(-n2cccn2)c1 ZINC000160519283 524907977 /nfs/dbraw/zinc/90/79/77/524907977.db2.gz GMXVRYBTSJZWJI-QZTJIDSGSA-N 1 0 369.469 1.765 20 70 FDIDRO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cccc1N1CCNC1=O ZINC000160585236 524922760 /nfs/dbraw/zinc/92/27/60/524922760.db2.gz QIRNSSGHULXWIN-HNNXBMFYSA-N 1 0 360.458 1.101 20 70 FDIDRO O=C(C[C@H]1C[NH2+]CCO1)NCC1(c2ccccc2Br)CC1 ZINC000160595142 524924109 /nfs/dbraw/zinc/92/41/09/524924109.db2.gz HERITWOVSKXRFP-LBPRGKRZSA-N 1 0 353.260 1.975 20 70 FDIDRO C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000160625633 524932007 /nfs/dbraw/zinc/93/20/07/524932007.db2.gz QTILXYQPZHDMHJ-KRWDZBQOSA-N 1 0 367.515 1.682 20 70 FDIDRO O=C(CN1CCOc2ccc(Cl)cc21)NCC1CC[NH+](CCO)CC1 ZINC000160628839 524933810 /nfs/dbraw/zinc/93/38/10/524933810.db2.gz LCOBRGOFYXKIDL-UHFFFAOYSA-N 1 0 367.877 1.359 20 70 FDIDRO CC(=O)N[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000160648823 524937984 /nfs/dbraw/zinc/93/79/84/524937984.db2.gz ITVYXOYONCZXIL-MOPGFXCFSA-N 1 0 361.486 1.525 20 70 FDIDRO O=C(/C=C/c1ccc(-n2ccnc2)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160668280 524941484 /nfs/dbraw/zinc/94/14/84/524941484.db2.gz CFFYPHOBKDTSPB-AIADIJKESA-N 1 0 354.454 1.849 20 70 FDIDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC3(C2)OCCO3)CC1 ZINC000160669883 524945482 /nfs/dbraw/zinc/94/54/82/524945482.db2.gz UMUKWMUYBMIWET-UHFFFAOYSA-N 1 0 373.497 1.478 20 70 FDIDRO CC(C)c1n[nH]c(C(=O)NCC2CC[NH+](CCO)CC2)c1Br ZINC000160705198 524954000 /nfs/dbraw/zinc/95/40/00/524954000.db2.gz OMOYDXWTOUADNL-UHFFFAOYSA-N 1 0 373.295 1.730 20 70 FDIDRO Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000160755202 524965285 /nfs/dbraw/zinc/96/52/85/524965285.db2.gz NKABITPFWJRSMK-GXTWGEPZSA-N 1 0 367.515 1.801 20 70 FDIDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)CCC(=O)OCc2ccccc2)C1 ZINC000160906482 524994085 /nfs/dbraw/zinc/99/40/85/524994085.db2.gz BKUZNCYSTWVDQI-QGZVFWFLSA-N 1 0 368.499 1.723 20 70 FDIDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c(F)c1 ZINC000160959475 525003598 /nfs/dbraw/zinc/00/35/98/525003598.db2.gz WPMIBDJFVHCMBK-LBPRGKRZSA-N 1 0 359.401 1.900 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000161119778 525037186 /nfs/dbraw/zinc/03/71/86/525037186.db2.gz DNYRKAZCMGPFRR-UHFFFAOYSA-N 1 0 356.264 1.459 20 70 FDIDRO O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000161173790 525047082 /nfs/dbraw/zinc/04/70/82/525047082.db2.gz AOJBKVOYNFDDHR-MRXNPFEDSA-N 1 0 365.499 1.097 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000161223582 525057991 /nfs/dbraw/zinc/05/79/91/525057991.db2.gz NPKXMVLVZFERAZ-TZMCWYRMSA-N 1 0 365.861 1.912 20 70 FDIDRO CCC[C@@H](C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[NH+](C)C ZINC000161252737 525066501 /nfs/dbraw/zinc/06/65/01/525066501.db2.gz NMTKBEDNKAGLGP-KRWDZBQOSA-N 1 0 367.515 1.391 20 70 FDIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000161261622 525069133 /nfs/dbraw/zinc/06/91/33/525069133.db2.gz LSYQDNCMEDEEPI-GOSISDBHSA-N 1 0 363.502 1.950 20 70 FDIDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000161302406 525075644 /nfs/dbraw/zinc/07/56/44/525075644.db2.gz JABZUNSQSGSWRR-IXDOHACOSA-N 1 0 360.506 1.889 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000161364001 525089643 /nfs/dbraw/zinc/08/96/43/525089643.db2.gz MJZDYLNUKVFDPS-HNNXBMFYSA-N 1 0 353.488 1.182 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 ZINC000161385757 525097530 /nfs/dbraw/zinc/09/75/30/525097530.db2.gz NDBREDHJXZYKIH-NWDGAFQWSA-N 1 0 363.487 1.272 20 70 FDIDRO CC(C)c1ncc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000161386700 525097589 /nfs/dbraw/zinc/09/75/89/525097589.db2.gz OLHJKFQFHCWCOZ-CYBMUJFWSA-N 1 0 352.504 1.939 20 70 FDIDRO Cc1nc(C)c(CC(=O)N(CCCc2ccccc2)CC[NH+](C)C)c(=O)[nH]1 ZINC000161398483 525100664 /nfs/dbraw/zinc/10/06/64/525100664.db2.gz FTZFVCFKGAQION-UHFFFAOYSA-N 1 0 370.497 1.952 20 70 FDIDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000161397646 525101033 /nfs/dbraw/zinc/10/10/33/525101033.db2.gz UBLMSELNGJFMFI-IAGOWNOFSA-N 1 0 357.458 1.243 20 70 FDIDRO COc1ccccc1S(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000161424296 525104673 /nfs/dbraw/zinc/10/46/73/525104673.db2.gz LXWHWFPHTUHIBI-CQSZACIVSA-N 1 0 356.488 1.409 20 70 FDIDRO COc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c(Cl)c1Cl ZINC000161417436 525105089 /nfs/dbraw/zinc/10/50/89/525105089.db2.gz CASGFUKZWLYVDY-ZDUSSCGKSA-N 1 0 371.286 1.593 20 70 FDIDRO Cc1cnn(Cc2cc(C(=O)NCCc3cn4ccccc4n3)no2)c1 ZINC000161433295 525106454 /nfs/dbraw/zinc/10/64/54/525106454.db2.gz IBBHSMMVTIKKPE-UHFFFAOYSA-N 1 0 350.382 1.848 20 70 FDIDRO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000161430337 525107380 /nfs/dbraw/zinc/10/73/80/525107380.db2.gz QVWCJRJEOACOCL-FUHWJXTLSA-N 1 0 350.434 1.414 20 70 FDIDRO CCc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000161440370 525108743 /nfs/dbraw/zinc/10/87/43/525108743.db2.gz AWPOYKUZPWDDBQ-HNNXBMFYSA-N 1 0 354.516 1.962 20 70 FDIDRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000161436256 525108833 /nfs/dbraw/zinc/10/88/33/525108833.db2.gz ZALXZDUWSQYKJM-LBPRGKRZSA-N 1 0 362.442 1.678 20 70 FDIDRO CC(=O)c1cccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000161457522 525112245 /nfs/dbraw/zinc/11/22/45/525112245.db2.gz VQYOFBSWDSNDAX-CQSZACIVSA-N 1 0 368.499 1.603 20 70 FDIDRO Cc1ccccc1CS(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000161463770 525113627 /nfs/dbraw/zinc/11/36/27/525113627.db2.gz LYTASTFWCHGAJG-MRXNPFEDSA-N 1 0 354.516 1.849 20 70 FDIDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCn3ccnc3C2)cc1 ZINC000161460124 525113749 /nfs/dbraw/zinc/11/37/49/525113749.db2.gz SUJFSUBGKIDJTQ-QGZVFWFLSA-N 1 0 369.469 1.053 20 70 FDIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000161504332 525118773 /nfs/dbraw/zinc/11/87/73/525118773.db2.gz OKBMGQZEDWVMBX-AWEZNQCLSA-N 1 0 357.462 1.240 20 70 FDIDRO CC[NH+](CC)CCCNC(=O)NCCCN1C(=O)c2ccccc2C1=O ZINC000217306151 537453697 /nfs/dbraw/zinc/45/36/97/537453697.db2.gz IYEIGXLRVUNDFY-UHFFFAOYSA-N 1 0 360.458 1.704 20 70 FDIDRO Cc1c(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000161042516 258263288 /nfs/dbraw/zinc/26/32/88/258263288.db2.gz YHMIQUSEGZVIBM-UHFFFAOYSA-N 1 0 369.469 1.919 20 70 FDIDRO [NH3+][C@H]1CCC[C@H]1C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000159662248 173685134 /nfs/dbraw/zinc/68/51/34/173685134.db2.gz IRAJXYOEWIJOTO-SJORKVTESA-N 1 0 365.499 1.224 20 70 FDIDRO O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCCC1 ZINC000160297885 173706076 /nfs/dbraw/zinc/70/60/76/173706076.db2.gz SRGOQRCTJVFRMQ-KRWDZBQOSA-N 1 0 367.453 1.891 20 70 FDIDRO COC1(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[NH2+]CC1 ZINC000160398804 173709694 /nfs/dbraw/zinc/70/96/94/173709694.db2.gz AFOIUSDIFCPLCL-CQSZACIVSA-N 1 0 351.834 1.330 20 70 FDIDRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159377255 524656181 /nfs/dbraw/zinc/65/61/81/524656181.db2.gz YKSOJVXSWQZAKE-BLLLJJGKSA-N 1 0 371.890 1.219 20 70 FDIDRO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000159407470 524661740 /nfs/dbraw/zinc/66/17/40/524661740.db2.gz YEDWIHGNDLXDJV-KRWDZBQOSA-N 1 0 353.488 1.939 20 70 FDIDRO COc1cccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1OC ZINC000159421948 524666891 /nfs/dbraw/zinc/66/68/91/524666891.db2.gz XVGKCQLVSUNQMD-HNNXBMFYSA-N 1 0 356.488 1.998 20 70 FDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000159428454 524667641 /nfs/dbraw/zinc/66/76/41/524667641.db2.gz XKWXGUMXMKKALB-UWVGGRQHSA-N 1 0 362.211 1.931 20 70 FDIDRO O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)N1CC[NH2+]CC1 ZINC000159427501 524667586 /nfs/dbraw/zinc/66/75/86/524667586.db2.gz DQRQIZUEYKBMOQ-UHFFFAOYSA-N 1 0 366.270 1.094 20 70 FDIDRO CNC(=O)c1cccc(OCC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000159442880 524669994 /nfs/dbraw/zinc/66/99/94/524669994.db2.gz NXMUCJWESWBKHT-OWCLPIDISA-N 1 0 361.486 1.908 20 70 FDIDRO COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)[C@@H](C)[NH3+])cc1 ZINC000159454583 524674652 /nfs/dbraw/zinc/67/46/52/524674652.db2.gz HFCXZEKBSRDOKG-CQSZACIVSA-N 1 0 355.438 1.978 20 70 FDIDRO CCC[C@H]1CN(C(=O)Nc2cnn(CCOC)c2)CC[N@@H+]1CCOC ZINC000159492128 524682429 /nfs/dbraw/zinc/68/24/29/524682429.db2.gz NJJAGGDYFXNAKF-INIZCTEOSA-N 1 0 353.467 1.494 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)CC1 ZINC000159521802 524688581 /nfs/dbraw/zinc/68/85/81/524688581.db2.gz GIOSBMFIUAILSI-INIZCTEOSA-N 1 0 366.531 1.859 20 70 FDIDRO COCC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccn3)CC2)CC1 ZINC000159673795 524719809 /nfs/dbraw/zinc/71/98/09/524719809.db2.gz XKQWCVYEOOIGDH-UHFFFAOYSA-N 1 0 361.490 1.020 20 70 FDIDRO Cn1c2cccc(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)c2oc1=O ZINC000159692588 524720795 /nfs/dbraw/zinc/72/07/95/524720795.db2.gz CARIJBOVAYCNIJ-UHFFFAOYSA-N 1 0 359.426 1.316 20 70 FDIDRO COc1cc(F)ccc1N1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000159721115 524726927 /nfs/dbraw/zinc/72/69/27/524726927.db2.gz FHFVCBGHUPJDIS-OAHLLOKOSA-N 1 0 367.490 1.920 20 70 FDIDRO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159782107 524737389 /nfs/dbraw/zinc/73/73/89/524737389.db2.gz JFYSRJYRAVWNNQ-KURKYZTESA-N 1 0 360.454 1.206 20 70 FDIDRO O=C([C@H](O)c1ccccc1Cl)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000159777826 524737764 /nfs/dbraw/zinc/73/77/64/524737764.db2.gz AXOQFTMVUVAKNP-QGZVFWFLSA-N 1 0 352.862 1.944 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCC(C)(C)N2CCOCC2)CC[N@@H+]1CCOC ZINC000159811985 524742882 /nfs/dbraw/zinc/74/28/82/524742882.db2.gz BDIUDKREGLNVIZ-QGZVFWFLSA-N 1 0 370.538 1.240 20 70 FDIDRO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159839247 524748542 /nfs/dbraw/zinc/74/85/42/524748542.db2.gz SYONARGSMBTXBU-PMPSAXMXSA-N 1 0 363.458 1.045 20 70 FDIDRO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(C)c1 ZINC000159832754 524750039 /nfs/dbraw/zinc/75/00/39/524750039.db2.gz JVUPLBAFLKGXBN-IRXDYDNUSA-N 1 0 361.486 1.759 20 70 FDIDRO C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)N(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000159876532 524758338 /nfs/dbraw/zinc/75/83/38/524758338.db2.gz FNMRXPZYMQZNJJ-WMZOPIPTSA-N 1 0 373.501 1.658 20 70 FDIDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)cc1 ZINC000159868412 524758649 /nfs/dbraw/zinc/75/86/49/524758649.db2.gz DZLCQOCGOJCZCR-QWHCGFSZSA-N 1 0 371.441 1.501 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCc2nnc3ccccn32)CC[N@@H+]1CCOC ZINC000159894404 524761083 /nfs/dbraw/zinc/76/10/83/524761083.db2.gz SYPGQCCHSVCZHS-OAHLLOKOSA-N 1 0 360.462 1.372 20 70 FDIDRO C[NH+]1CCC(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3CC(F)(F)F)CC1 ZINC000159912043 524766607 /nfs/dbraw/zinc/76/66/07/524766607.db2.gz PEUDRMDRJYXPCJ-UHFFFAOYSA-N 1 0 370.375 1.964 20 70 FDIDRO COc1cccc([C@H](O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000159948792 524775097 /nfs/dbraw/zinc/77/50/97/524775097.db2.gz QDHYLHHBRBVPST-IBGZPJMESA-N 1 0 355.438 1.904 20 70 FDIDRO C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000159963287 524776571 /nfs/dbraw/zinc/77/65/71/524776571.db2.gz SHXSCQZQCCSQOY-BEFAXECRSA-N 1 0 373.497 1.617 20 70 FDIDRO CCCCn1ncc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000159965884 524777564 /nfs/dbraw/zinc/77/75/64/524777564.db2.gz MHCAUQROJXUZGX-OAHLLOKOSA-N 1 0 364.494 1.701 20 70 FDIDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000160005412 524786903 /nfs/dbraw/zinc/78/69/03/524786903.db2.gz OHDXJTSIBWTRBG-AEFFLSMTSA-N 1 0 367.515 1.548 20 70 FDIDRO CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)n1nnc(-c2ccccc2)n1 ZINC000160005747 524787134 /nfs/dbraw/zinc/78/71/34/524787134.db2.gz ANGATJJXRYBOIB-BBWFWOEESA-N 1 0 354.458 1.890 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000160030159 524791370 /nfs/dbraw/zinc/79/13/70/524791370.db2.gz BZENQPUIWVQKCE-TXEJJXNPSA-N 1 0 366.462 1.488 20 70 FDIDRO C[C@H](CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccs1)N1CC[NH+](C)CC1 ZINC000160155837 524820429 /nfs/dbraw/zinc/82/04/29/524820429.db2.gz DDGNSINESHHYJI-KEYYUXOJSA-N 1 0 364.515 1.020 20 70 FDIDRO CC(C)C(=O)Nc1nc(CC(=O)NC[C@H](O)C[NH+]2CCCCC2)cs1 ZINC000160191979 524828873 /nfs/dbraw/zinc/82/88/73/524828873.db2.gz LQSGOAUFIOYFPL-AWEZNQCLSA-N 1 0 368.503 1.243 20 70 FDIDRO C[C@@H](CNC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000160201131 524830279 /nfs/dbraw/zinc/83/02/79/524830279.db2.gz XNHOEZJCSFVTMW-JTDSTZFVSA-N 1 0 363.506 1.798 20 70 FDIDRO Cc1nn(C)c(C)c1CCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160211445 524831867 /nfs/dbraw/zinc/83/18/67/524831867.db2.gz GMVBTFOKRRAPPA-OALUTQOASA-N 1 0 362.518 1.854 20 70 FDIDRO CNS(=O)(=O)c1ccc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000160225420 524835513 /nfs/dbraw/zinc/83/55/13/524835513.db2.gz BJEZMWDHOSUADP-PBHICJAKSA-N 1 0 360.483 1.922 20 70 FDIDRO NC(=O)NCc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160233956 524836777 /nfs/dbraw/zinc/83/67/77/524836777.db2.gz WBJGPIJZIUOTEE-QZTJIDSGSA-N 1 0 374.485 1.353 20 70 FDIDRO Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000160253927 524841426 /nfs/dbraw/zinc/84/14/26/524841426.db2.gz IKUKXEHECMCFSY-CYBMUJFWSA-N 1 0 359.474 1.975 20 70 FDIDRO COCCc1noc(CN(C)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC000160259717 524844404 /nfs/dbraw/zinc/84/44/04/524844404.db2.gz WWHANSAIEOLBPL-HNNXBMFYSA-N 1 0 367.494 1.910 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160283777 524848086 /nfs/dbraw/zinc/84/80/86/524848086.db2.gz ISIHLNXRXAPJOB-FRRDWIJNSA-N 1 0 350.463 1.967 20 70 FDIDRO Cc1cc(=O)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)nn1-c1ccccc1 ZINC000160307565 524854691 /nfs/dbraw/zinc/85/46/91/524854691.db2.gz VQEUDLQELLBMMP-KRWDZBQOSA-N 1 0 370.453 1.118 20 70 FDIDRO [NH3+][C@@H]1CCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000160306839 524854919 /nfs/dbraw/zinc/85/49/19/524854919.db2.gz AMVPPTCNEDMUAA-ODXCJYRJSA-N 1 0 359.289 1.897 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000160314287 524855356 /nfs/dbraw/zinc/85/53/56/524855356.db2.gz VPIBZWOFYKEPMZ-IEBWSBKVSA-N 1 0 362.470 1.821 20 70 FDIDRO CO[C@]1(C[NH2+]C[C@H](O)COc2cccc(Br)c2)CCOC1 ZINC000160350418 524864026 /nfs/dbraw/zinc/86/40/26/524864026.db2.gz XEETUAYQKCEMSY-ZFWWWQNUSA-N 1 0 360.248 1.584 20 70 FDIDRO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cnn1-c1ccccc1F ZINC000160350528 524864703 /nfs/dbraw/zinc/86/47/03/524864703.db2.gz LTHXJTCAVUDSCQ-HNNXBMFYSA-N 1 0 360.433 1.896 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1(c2cccc(F)c2)CCOCC1 ZINC000160348276 524865699 /nfs/dbraw/zinc/86/56/99/524865699.db2.gz UBWAJIZNIUTIJB-GOSISDBHSA-N 1 0 364.461 1.837 20 70 FDIDRO CC(C)N(C[C@H](C)O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000160353847 524866727 /nfs/dbraw/zinc/86/67/27/524866727.db2.gz SANFEGHUQRLHTN-SFHVURJKSA-N 1 0 362.518 2.000 20 70 FDIDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C(F)(F)C1(O)CCC1 ZINC000160376816 524872268 /nfs/dbraw/zinc/87/22/68/524872268.db2.gz SLLIOHRJFCQBHJ-HIFRSBDPSA-N 1 0 353.413 1.959 20 70 FDIDRO CCc1nc(-c2ccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2)n[nH]1 ZINC000160404854 524880126 /nfs/dbraw/zinc/88/01/26/524880126.db2.gz PIIAONRPTBPGCN-MRXNPFEDSA-N 1 0 357.458 1.611 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N(CC[NH+](C)C)CC(C)C)c1CC ZINC000160479669 524897875 /nfs/dbraw/zinc/89/78/75/524897875.db2.gz UPRJDJQFUKEECA-UHFFFAOYSA-N 1 0 351.495 1.624 20 70 FDIDRO C[NH+](C)CCC1CCN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000160496786 524902079 /nfs/dbraw/zinc/90/20/79/524902079.db2.gz CTXQZYXLWRVCAA-FQEVSTJZSA-N 1 0 372.469 1.545 20 70 FDIDRO CC(=O)N1CSC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000160500984 524904674 /nfs/dbraw/zinc/90/46/74/524904674.db2.gz YIAGBNNJHZPZDV-SFHVURJKSA-N 1 0 361.511 1.997 20 70 FDIDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160513052 524905322 /nfs/dbraw/zinc/90/53/22/524905322.db2.gz NYMCKXYHOLGPKC-ULQDDVLXSA-N 1 0 368.522 1.170 20 70 FDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc(Br)ccc1=O ZINC000160527305 524907422 /nfs/dbraw/zinc/90/74/22/524907422.db2.gz TYPKODXKTMUXHE-CQSZACIVSA-N 1 0 370.291 1.847 20 70 FDIDRO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160572803 524918042 /nfs/dbraw/zinc/91/80/42/524918042.db2.gz ODHSNOQBGBHUIO-GDBMZVCRSA-N 1 0 367.515 1.466 20 70 FDIDRO COc1ccccc1-c1nn(C)cc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160583670 524923202 /nfs/dbraw/zinc/92/32/02/524923202.db2.gz MPPVOIGRLGKTAP-HNNXBMFYSA-N 1 0 372.469 1.672 20 70 FDIDRO O=C(CCSCc1nc2ccccc2c(=O)[nH]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160619101 524932441 /nfs/dbraw/zinc/93/24/41/524932441.db2.gz FIIIPYCMTJZQRG-OKILXGFUSA-N 1 0 372.494 1.899 20 70 FDIDRO Cn1cnc2cc(C(=O)NCC3([NH+]4CCCCC4)CCN(C)CC3)cnc21 ZINC000160629035 524933155 /nfs/dbraw/zinc/93/31/55/524933155.db2.gz CVQIBWSWJUEQIR-UHFFFAOYSA-N 1 0 370.501 1.648 20 70 FDIDRO COCCCNC(=O)C1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160636037 524935780 /nfs/dbraw/zinc/93/57/80/524935780.db2.gz RMJXIXAGDFWJOP-QGZVFWFLSA-N 1 0 366.506 1.045 20 70 FDIDRO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160664774 524941612 /nfs/dbraw/zinc/94/16/12/524941612.db2.gz VCTVDUQQSFODCU-KBXCAEBGSA-N 1 0 359.470 1.715 20 70 FDIDRO COc1ccc2cc(C(=O)NCC3CC[NH+](CCO)CC3)c(C)nc2c1 ZINC000160715919 524955983 /nfs/dbraw/zinc/95/59/83/524955983.db2.gz MQBKBGOOYYXDFT-UHFFFAOYSA-N 1 0 357.454 1.986 20 70 FDIDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1 ZINC000160736330 524959887 /nfs/dbraw/zinc/95/98/87/524959887.db2.gz JWGXXUPZXDSLJH-LSDHHAIUSA-N 1 0 364.494 1.113 20 70 FDIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000160730720 524961086 /nfs/dbraw/zinc/96/10/86/524961086.db2.gz YEKJVVXDNNBNCJ-ZWKOTPCHSA-N 1 0 356.470 1.744 20 70 FDIDRO CC(=O)N[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C1CCCC1 ZINC000160757804 524964782 /nfs/dbraw/zinc/96/47/82/524964782.db2.gz CPDWGTBZMCSLKK-UFYCRDLUSA-N 1 0 373.497 1.433 20 70 FDIDRO NC(=O)[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Cc1ccc(F)cc1 ZINC000160771858 524966761 /nfs/dbraw/zinc/96/67/61/524966761.db2.gz GTXGAXNVXMCXEB-DOTOQJQBSA-N 1 0 362.449 1.253 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)C1 ZINC000160782115 524970764 /nfs/dbraw/zinc/97/07/64/524970764.db2.gz VAZXGZHKSHJMKV-HOCLYGCPSA-N 1 0 365.499 1.684 20 70 FDIDRO COC(=O)CN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1CCCC1 ZINC000160805699 524975091 /nfs/dbraw/zinc/97/50/91/524975091.db2.gz ZPANGGSISXIUPY-UHFFFAOYSA-N 1 0 360.458 1.391 20 70 FDIDRO COCc1nc2n(n1)C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)CC2 ZINC000160829671 524978831 /nfs/dbraw/zinc/97/88/31/524978831.db2.gz RNQSZJOMGQHBSZ-CABCVRRESA-N 1 0 364.494 1.255 20 70 FDIDRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCC[NH2+]CC1 ZINC000160882410 524988591 /nfs/dbraw/zinc/98/85/91/524988591.db2.gz VEIRDFWPUIHWEP-UHFFFAOYSA-N 1 0 350.216 1.726 20 70 FDIDRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cccc1S(N)(=O)=O ZINC000160973235 525007489 /nfs/dbraw/zinc/00/74/89/525007489.db2.gz XCNQPMGFISJXRC-HNNXBMFYSA-N 1 0 367.515 1.740 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC1 ZINC000161002829 525014360 /nfs/dbraw/zinc/01/43/60/525014360.db2.gz IVKHHRRXYOMCQW-SFHVURJKSA-N 1 0 358.486 1.782 20 70 FDIDRO CO[C@@H]1CCN(C(=O)c2ccccc2I)[C@@H](C[NH3+])C1 ZINC000161059675 525025384 /nfs/dbraw/zinc/02/53/84/525025384.db2.gz BXLYFAHHNWGYEF-GHMZBOCLSA-N 1 0 374.222 1.870 20 70 FDIDRO CCS(=O)(=O)NCc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000161074200 525028843 /nfs/dbraw/zinc/02/88/43/525028843.db2.gz MQHHQXXVTRLTAV-HNNXBMFYSA-N 1 0 367.515 1.588 20 70 FDIDRO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)Nc1ccn(CC[NH+](C)C)n1)CC2 ZINC000161089023 525030269 /nfs/dbraw/zinc/03/02/69/525030269.db2.gz DGMFGBFCDBPIKD-HUUCEWRRSA-N 1 0 365.478 1.229 20 70 FDIDRO COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000161095309 525033991 /nfs/dbraw/zinc/03/39/91/525033991.db2.gz DGORBCDWVMBMSS-CQSZACIVSA-N 1 0 365.478 1.888 20 70 FDIDRO Cn1cnc(-c2ccc(NC(=O)N3CC[NH+](CC(C)(C)O)CC3)cc2)n1 ZINC000161162755 525045099 /nfs/dbraw/zinc/04/50/99/525045099.db2.gz INPHAWJLNNBHHM-UHFFFAOYSA-N 1 0 358.446 1.403 20 70 FDIDRO CCC(CC)(C[NH3+])C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000161214170 525056043 /nfs/dbraw/zinc/05/60/43/525056043.db2.gz PIQSGDCUAXAVKI-UHFFFAOYSA-N 1 0 364.471 1.979 20 70 FDIDRO CCC(CC)(C[NH3+])C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000161282919 525072947 /nfs/dbraw/zinc/07/29/47/525072947.db2.gz CNTWGDCWJDNNFO-HNNXBMFYSA-N 1 0 352.523 1.343 20 70 FDIDRO COC(=O)c1ccccc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161301115 525077330 /nfs/dbraw/zinc/07/73/30/525077330.db2.gz YQDXTCMQYMIUNZ-UHFFFAOYSA-N 1 0 354.410 1.629 20 70 FDIDRO Cc1cc(C)c(Br)c(C(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC000161315126 525077908 /nfs/dbraw/zinc/07/79/08/525077908.db2.gz CWZBHULCRMNNFS-CYBMUJFWSA-N 1 0 352.276 1.796 20 70 FDIDRO CN1C(=O)C[C@H](C(=O)N[C@@H]2CCN(c3ccccn3)C2)[C@@H]1c1cccnc1 ZINC000161315984 525078839 /nfs/dbraw/zinc/07/88/39/525078839.db2.gz ZQWPYAWLBBLMKM-GJYPPUQNSA-N 1 0 365.437 1.391 20 70 FDIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(OC)c2)cc1 ZINC000161366405 525093659 /nfs/dbraw/zinc/09/36/59/525093659.db2.gz DNMPJCPXPLZFRH-ACJLOTCBSA-N 1 0 364.467 1.988 20 70 FDIDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000161397793 525100708 /nfs/dbraw/zinc/10/07/08/525100708.db2.gz UBLMSELNGJFMFI-SJORKVTESA-N 1 0 357.458 1.243 20 70 FDIDRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc1 ZINC000161404190 525101222 /nfs/dbraw/zinc/10/12/22/525101222.db2.gz ZELGKQBMLZVJBF-OHFALNGGSA-N 1 0 365.499 1.105 20 70 FDIDRO CC1CC[NH+](C2CCC(NC(=O)CC[C@H]3NC(=O)NC3=O)CC2)CC1 ZINC000161497419 525119415 /nfs/dbraw/zinc/11/94/15/525119415.db2.gz SBBFAXOHAGMBFE-YMAMQOFZSA-N 1 0 350.463 1.134 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)CC1 ZINC000161044951 258263377 /nfs/dbraw/zinc/26/33/77/258263377.db2.gz UXHOHDHFLLPCNS-CYBMUJFWSA-N 1 0 371.478 1.341 20 70 FDIDRO C[C@H](CC(=O)c1cccs1)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000160812201 173722542 /nfs/dbraw/zinc/72/25/42/173722542.db2.gz LIYXHPUQSFUWGD-OLZOCXBDSA-N 1 0 351.472 1.236 20 70 FDIDRO CNS(=O)(=O)[C@H]1CCN(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1 ZINC000160860615 173723342 /nfs/dbraw/zinc/72/33/42/173723342.db2.gz CERZRLYGQDTDEY-INIZCTEOSA-N 1 0 374.551 1.078 20 70 FDIDRO COC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000160909750 173725135 /nfs/dbraw/zinc/72/51/35/173725135.db2.gz NYKUGUSSKAHRGF-ZYHUDNBSSA-N 1 0 365.211 1.655 20 70 FDIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000159375676 524656229 /nfs/dbraw/zinc/65/62/29/524656229.db2.gz NSOYAQDJDUVWJK-ZDUSSCGKSA-N 1 0 361.471 1.712 20 70 FDIDRO C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159446424 524671511 /nfs/dbraw/zinc/67/15/11/524671511.db2.gz BPBRKHBGVHCQOY-GJYPPUQNSA-N 1 0 363.477 1.956 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N(C)C)C1 ZINC000159444526 524672457 /nfs/dbraw/zinc/67/24/57/524672457.db2.gz ZDUSQPYVADNYCR-OAHLLOKOSA-N 1 0 374.485 1.421 20 70 FDIDRO [NH3+]C1(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCCCC1 ZINC000159458489 524673572 /nfs/dbraw/zinc/67/35/72/524673572.db2.gz SUSZPTRKZYWZLT-UHFFFAOYSA-N 1 0 365.499 1.863 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)C1 ZINC000159473768 524679388 /nfs/dbraw/zinc/67/93/88/524679388.db2.gz ZZDDMNWSVXFVDK-OAHLLOKOSA-N 1 0 370.457 1.300 20 70 FDIDRO C[C@@H]1C[NH+](CCCNC(=O)NC[C@](C)(O)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000159484348 524680397 /nfs/dbraw/zinc/68/03/97/524680397.db2.gz NPGOLGZTIJFSBX-CLCXKQKWSA-N 1 0 367.465 1.832 20 70 FDIDRO C[C@@H](CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CC[NH+](C)CC1 ZINC000159524015 524688885 /nfs/dbraw/zinc/68/88/85/524688885.db2.gz YEFVXJGRFIWKFU-RYUDHWBXSA-N 1 0 373.423 1.286 20 70 FDIDRO C[N@@H+](CC(=O)NCC1(N2CCOCC2)CCCCC1)C[C@@H]1CCC[C@@H]1O ZINC000159619547 524711360 /nfs/dbraw/zinc/71/13/60/524711360.db2.gz WXVMZEBMEVCCBC-ROUUACIJSA-N 1 0 367.534 1.231 20 70 FDIDRO COCc1cccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000159680246 524720009 /nfs/dbraw/zinc/72/00/09/524720009.db2.gz BUNVWZXGVUFJNW-KRWDZBQOSA-N 1 0 360.458 1.603 20 70 FDIDRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)co1 ZINC000159724530 524726797 /nfs/dbraw/zinc/72/67/97/524726797.db2.gz NNYMFLAWFWJPLG-JSGCOSHPSA-N 1 0 355.460 1.086 20 70 FDIDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccncc2Br)CC1 ZINC000159746565 524730653 /nfs/dbraw/zinc/73/06/53/524730653.db2.gz KVTNFTLKTWBOIX-GFCCVEGCSA-N 1 0 356.264 1.667 20 70 FDIDRO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159744150 524731407 /nfs/dbraw/zinc/73/14/07/524731407.db2.gz KYKIEIZSYRVXKR-QAPCUYQASA-N 1 0 367.515 1.137 20 70 FDIDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000159849165 524752349 /nfs/dbraw/zinc/75/23/49/524752349.db2.gz NOZIHEDAOMJGRU-UHFFFAOYSA-N 1 0 350.463 1.491 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCc2nnc(-c3ccc(OC)cc3)[nH]2)CC1 ZINC000159896183 524761600 /nfs/dbraw/zinc/76/16/00/524761600.db2.gz JUFGADLMVKWMMK-UHFFFAOYSA-N 1 0 358.446 1.718 20 70 FDIDRO CCc1cc(N2CCC(NC(=O)N3CCC[N@@H+](CC)CC3)CC2)ncn1 ZINC000159945225 524773676 /nfs/dbraw/zinc/77/36/76/524773676.db2.gz FSHZAZVYVYONPZ-UHFFFAOYSA-N 1 0 360.506 1.745 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000159983870 524782884 /nfs/dbraw/zinc/78/28/84/524782884.db2.gz ACPMBIIWUUQJRJ-OAHLLOKOSA-N 1 0 358.442 1.773 20 70 FDIDRO CNC(=O)[C@H]1CCCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000160002422 524786937 /nfs/dbraw/zinc/78/69/37/524786937.db2.gz PXFPFQKPEOEPTE-NJAFHUGGSA-N 1 0 358.486 1.817 20 70 FDIDRO CN(CC(=O)Nc1ccccc1I)[C@@H](C[NH3+])C1CC1 ZINC000160012290 524790754 /nfs/dbraw/zinc/79/07/54/524790754.db2.gz VETLDZDZBCHNGB-ZDUSSCGKSA-N 1 0 373.238 1.899 20 70 FDIDRO CCOc1cccc2c1OC[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)C2 ZINC000160043686 524794935 /nfs/dbraw/zinc/79/49/35/524794935.db2.gz IRYJISLXQTWRPL-IRXDYDNUSA-N 1 0 362.470 1.599 20 70 FDIDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCCC[C@@H]3C(N)=O)cc2)CC1 ZINC000160070188 524801623 /nfs/dbraw/zinc/80/16/23/524801623.db2.gz SLQHVOOPXCZVPG-GOSISDBHSA-N 1 0 358.486 1.697 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCc2ccc(OC)nc2)CC[N@@H+]1CCOC ZINC000160076984 524803585 /nfs/dbraw/zinc/80/35/85/524803585.db2.gz HXAPBERDTNBERL-MRXNPFEDSA-N 1 0 350.463 1.733 20 70 FDIDRO Cc1ccc([C@H](CNC(=O)CNC(=O)c2cccnc2)[NH+]2CCCC2)o1 ZINC000160136143 524816751 /nfs/dbraw/zinc/81/67/51/524816751.db2.gz RPERTTMPOCEUQT-INIZCTEOSA-N 1 0 356.426 1.666 20 70 FDIDRO O=c1ccc2cc(S(=O)(=O)N3CCC([NH2+]CC4CC4)CC3)ccc2o1 ZINC000160152333 524820462 /nfs/dbraw/zinc/82/04/62/524820462.db2.gz PJFJOXXYCVQEDP-UHFFFAOYSA-N 1 0 362.451 1.946 20 70 FDIDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1nocc1C)Cc1ccccc1 ZINC000160167969 524821934 /nfs/dbraw/zinc/82/19/34/524821934.db2.gz XPQYRIKKBYYTJG-INIZCTEOSA-N 1 0 358.442 1.991 20 70 FDIDRO CC(C)C(=O)Nc1nc(CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cs1 ZINC000160192116 524828595 /nfs/dbraw/zinc/82/85/95/524828595.db2.gz LQSGOAUFIOYFPL-CQSZACIVSA-N 1 0 368.503 1.243 20 70 FDIDRO CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1C ZINC000160201970 524830617 /nfs/dbraw/zinc/83/06/17/524830617.db2.gz POBTUUSWZOXPRE-CQSZACIVSA-N 1 0 351.447 1.385 20 70 FDIDRO NC(=O)NCc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160233699 524837450 /nfs/dbraw/zinc/83/74/50/524837450.db2.gz WBJGPIJZIUOTEE-MSOLQXFVSA-N 1 0 374.485 1.353 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CCC(CC[NH+](C)C)CC2)c1CC ZINC000160281388 524847835 /nfs/dbraw/zinc/84/78/35/524847835.db2.gz BEFARASLVAIXBR-UHFFFAOYSA-N 1 0 363.506 1.768 20 70 FDIDRO O=C(CNC(=O)c1cccs1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160339165 524860141 /nfs/dbraw/zinc/86/01/41/524860141.db2.gz FDWWXJNKVXUXMS-CABCVRRESA-N 1 0 365.499 1.362 20 70 FDIDRO C[C@@]1(O)CCCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000160339353 524861182 /nfs/dbraw/zinc/86/11/82/524861182.db2.gz YDGGJCQDZNGZMB-HXUWFJFHSA-N 1 0 360.502 1.755 20 70 FDIDRO CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160512873 524905545 /nfs/dbraw/zinc/90/55/45/524905545.db2.gz NYMCKXYHOLGPKC-IKGGRYGDSA-N 1 0 368.522 1.170 20 70 FDIDRO O=C(CCc1nnc(-c2ccsc2)o1)NCC1CC[NH+](CCO)CC1 ZINC000160590661 524923570 /nfs/dbraw/zinc/92/35/70/524923570.db2.gz CMYDOZWGPMQZSM-UHFFFAOYSA-N 1 0 364.471 1.551 20 70 FDIDRO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160653058 524937288 /nfs/dbraw/zinc/93/72/88/524937288.db2.gz XGVKQVXBWPNOKG-BBWFWOEESA-N 1 0 358.421 1.257 20 70 FDIDRO C[C@H](NC(=O)c1ccco1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160662290 524943081 /nfs/dbraw/zinc/94/30/81/524943081.db2.gz OIJUNRNVTZIACL-BPUTZDHNSA-N 1 0 363.458 1.282 20 70 FDIDRO CC[N@@H+]1CC[C@H](CNC(=O)CCc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000160664712 524943369 /nfs/dbraw/zinc/94/33/69/524943369.db2.gz RJEDWSVKGQRZNM-MRXNPFEDSA-N 1 0 352.500 1.871 20 70 FDIDRO CCC1CCC2(CC1)NC(=O)N(CC(=O)N1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2=O ZINC000160716979 524956629 /nfs/dbraw/zinc/95/66/29/524956629.db2.gz BJZXMODALIBCJY-LVFIWVQCSA-N 1 0 362.474 1.230 20 70 FDIDRO C[NH+](C)CCN1C[C@H](C(=O)NCCc2csc(C(C)(C)C)n2)CC1=O ZINC000160765084 524966196 /nfs/dbraw/zinc/96/61/96/524966196.db2.gz YLFSTJVVXHDBLH-CYBMUJFWSA-N 1 0 366.531 1.509 20 70 FDIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000160775006 524968561 /nfs/dbraw/zinc/96/85/61/524968561.db2.gz IKITXMGVNNYIQZ-KGLIPLIRSA-N 1 0 369.491 1.047 20 70 FDIDRO COC[C@H](NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000160780624 524968735 /nfs/dbraw/zinc/96/87/35/524968735.db2.gz ICRQYFJAJMSGMW-IBGZPJMESA-N 1 0 361.486 1.868 20 70 FDIDRO Cn1c(=O)[nH]c2ccc(C(=O)NCC[N@H+](C)Cc3ccc(F)cc3)cc21 ZINC000160906113 524993954 /nfs/dbraw/zinc/99/39/54/524993954.db2.gz CBQMNOLDNUFUQZ-UHFFFAOYSA-N 1 0 356.401 1.868 20 70 FDIDRO COC(=O)CCCS(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160957252 525005269 /nfs/dbraw/zinc/00/52/69/525005269.db2.gz PWANOHJKOTVOKG-UHFFFAOYSA-N 1 0 360.520 1.902 20 70 FDIDRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000160967575 525006994 /nfs/dbraw/zinc/00/69/94/525006994.db2.gz AJSQNBZRQKSYKS-SFHVURJKSA-N 1 0 368.437 1.762 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)CC1 ZINC000161014181 525016483 /nfs/dbraw/zinc/01/64/83/525016483.db2.gz FZSWOCGBMZWNPQ-CQSZACIVSA-N 1 0 353.488 1.202 20 70 FDIDRO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NC1CC[NH+](C(C)C)CC1)CC2 ZINC000161229094 525059491 /nfs/dbraw/zinc/05/94/91/525059491.db2.gz UGSUGJBUIVURHK-DLBZAZTESA-N 1 0 353.507 1.821 20 70 FDIDRO Cc1c(C(=O)NC2CCC(C[NH+](C)C)CC2)cccc1S(N)(=O)=O ZINC000161227545 525059655 /nfs/dbraw/zinc/05/96/55/525059655.db2.gz IXUIPLLUUUJJDU-UHFFFAOYSA-N 1 0 353.488 1.493 20 70 FDIDRO CCN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000161227226 525061126 /nfs/dbraw/zinc/06/11/26/525061126.db2.gz FPTUTGMTSUSZOK-AWEZNQCLSA-N 1 0 357.248 1.665 20 70 FDIDRO O=C([C@H]1CN(CCC[NH+]2CCCCC2)c2ccccc2O1)N1CCOCC1 ZINC000161238155 525062298 /nfs/dbraw/zinc/06/22/98/525062298.db2.gz RTQBTTJPEMILKI-HXUWFJFHSA-N 1 0 373.497 1.989 20 70 FDIDRO Cc1noc(C)c1S(=O)(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000161258434 525065785 /nfs/dbraw/zinc/06/57/85/525065785.db2.gz JGNHPNDGDKQSBS-OKILXGFUSA-N 1 0 370.519 1.471 20 70 FDIDRO CN1CC[C@@H](NC(=O)C2(NC(N)=O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000161342499 525084070 /nfs/dbraw/zinc/08/40/70/525084070.db2.gz LMZGHYMGNZCDRD-OLZOCXBDSA-N 1 0 354.813 1.541 20 70 FDIDRO COc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1F ZINC000161438639 525108207 /nfs/dbraw/zinc/10/82/07/525108207.db2.gz JKYHPEQKEFKCEE-CYBMUJFWSA-N 1 0 374.478 1.548 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000161444612 525110604 /nfs/dbraw/zinc/11/06/04/525110604.db2.gz JBILJQUAVWRAJK-GFCCVEGCSA-N 1 0 374.812 1.950 20 70 FDIDRO COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000161494567 525117624 /nfs/dbraw/zinc/11/76/24/525117624.db2.gz BIFBDUOKBWUNHG-CQSZACIVSA-N 1 0 365.478 1.888 20 70 FDIDRO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000159508659 173679780 /nfs/dbraw/zinc/67/97/80/173679780.db2.gz OATOFAVUWXKSNB-AWEZNQCLSA-N 1 0 370.501 1.983 20 70 FDIDRO COc1cc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)ccc1S(C)(=O)=O ZINC000160433910 173711048 /nfs/dbraw/zinc/71/10/48/173711048.db2.gz RVDXKQFFGJXBMS-FZMZJTMJSA-N 1 0 364.471 1.664 20 70 FDIDRO NC(=O)[C@H]1CCCN1C1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000159378690 524655989 /nfs/dbraw/zinc/65/59/89/524655989.db2.gz MFORRAQUBHKLOP-NVXWUHKLSA-N 1 0 367.515 1.040 20 70 FDIDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)CC(=O)N1CCNC(=O)C1 ZINC000159384308 524658090 /nfs/dbraw/zinc/65/80/90/524658090.db2.gz GUCOFAXRVWSNQY-IAGOWNOFSA-N 1 0 372.513 1.033 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)C1 ZINC000159385184 524658367 /nfs/dbraw/zinc/65/83/67/524658367.db2.gz MXTMKLPBBLOLDL-OAHLLOKOSA-N 1 0 370.457 1.300 20 70 FDIDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159424505 524666783 /nfs/dbraw/zinc/66/67/83/524666783.db2.gz HLSMAUXEEMBYEC-HOTGVXAUSA-N 1 0 365.478 1.494 20 70 FDIDRO CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@H]2C(=O)NC2CC2)CC1 ZINC000159447965 524672656 /nfs/dbraw/zinc/67/26/56/524672656.db2.gz JEPJJFFWVOYXEO-KRWDZBQOSA-N 1 0 366.506 1.328 20 70 FDIDRO C[N@@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)C[C@H]1CCC[C@@H]1O ZINC000159550849 524696129 /nfs/dbraw/zinc/69/61/29/524696129.db2.gz QIZAYHHZZYRUMK-MJGOQNOKSA-N 1 0 356.470 1.624 20 70 FDIDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000159573300 524699523 /nfs/dbraw/zinc/69/95/23/524699523.db2.gz OCTNRHLLNGSSHU-VBKZILBWSA-N 1 0 372.469 1.736 20 70 FDIDRO C[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C[C@H]1CCC[C@@H]1O ZINC000159604715 524706728 /nfs/dbraw/zinc/70/67/28/524706728.db2.gz WGQWZTZRUTXBLZ-MJGOQNOKSA-N 1 0 373.497 1.957 20 70 FDIDRO Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1-n1cnnn1 ZINC000159612500 524707383 /nfs/dbraw/zinc/70/73/83/524707383.db2.gz KYUIPCUCOBZLMV-GDBMZVCRSA-N 1 0 355.446 1.919 20 70 FDIDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159622523 524711043 /nfs/dbraw/zinc/71/10/43/524711043.db2.gz DNDCCDGXDGTLFY-IRXDYDNUSA-N 1 0 362.470 1.899 20 70 FDIDRO CC[N@H+](CCOc1ccc(Br)cc1)[C@@H](C)C(=O)NC(N)=O ZINC000159664499 524716601 /nfs/dbraw/zinc/71/66/01/524716601.db2.gz FGXLSPQAFZOZLU-JTQLQIEISA-N 1 0 358.236 1.733 20 70 FDIDRO COc1cccc(C(C)(C)CNC(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000159664848 524716775 /nfs/dbraw/zinc/71/67/75/524716775.db2.gz SSRMVMCNFXRNFX-UHFFFAOYSA-N 1 0 363.502 1.976 20 70 FDIDRO CN1CC[NH+](CCCCNC(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1 ZINC000159781972 524736251 /nfs/dbraw/zinc/73/62/51/524736251.db2.gz PHHFUUVCTUGDSX-UHFFFAOYSA-N 1 0 360.433 1.425 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000159808484 524742617 /nfs/dbraw/zinc/74/26/17/524742617.db2.gz QKULWHTZWHXZCQ-AWEZNQCLSA-N 1 0 368.503 1.393 20 70 FDIDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)cc1 ZINC000159867071 524756131 /nfs/dbraw/zinc/75/61/31/524756131.db2.gz JORZLXKEXFDYLU-KBPBESRZSA-N 1 0 373.457 1.747 20 70 FDIDRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159875298 524756825 /nfs/dbraw/zinc/75/68/25/524756825.db2.gz RRCGRNGHVSWNRG-CHWSQXEVSA-N 1 0 359.430 1.359 20 70 FDIDRO CCOc1ccc2c(c1)C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)CO2 ZINC000159942350 524773330 /nfs/dbraw/zinc/77/33/30/524773330.db2.gz WQTDHZYVRNIMBY-IAGOWNOFSA-N 1 0 362.470 1.599 20 70 FDIDRO O=C(c1ncn(-c2ccccc2)n1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000159967001 524776762 /nfs/dbraw/zinc/77/67/62/524776762.db2.gz GYNSHRQWRFERJQ-GOSISDBHSA-N 1 0 369.469 1.984 20 70 FDIDRO CC(C)(C)n1ccnc1SCC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159967429 524778480 /nfs/dbraw/zinc/77/84/80/524778480.db2.gz RWOPYPGVQSBBNL-AWEZNQCLSA-N 1 0 354.520 1.693 20 70 FDIDRO CC[N@H+](Cc1ccc(C(=O)NCC2(C(N)=O)CCOCC2)cc1)C(C)C ZINC000160062667 524798856 /nfs/dbraw/zinc/79/88/56/524798856.db2.gz WQEXJDBXVUCUME-UHFFFAOYSA-N 1 0 361.486 1.929 20 70 FDIDRO C[C@H]1C[C@@H](NC(=O)N2CCC(NC(N)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160118360 524812597 /nfs/dbraw/zinc/81/25/97/524812597.db2.gz POQZAOBPHRIQEI-WMLDXEAASA-N 1 0 359.474 1.492 20 70 FDIDRO CCc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cnn1-c1ccccn1 ZINC000160121429 524814344 /nfs/dbraw/zinc/81/43/44/524814344.db2.gz ORDASUKZOFZJPP-OAHLLOKOSA-N 1 0 357.458 1.406 20 70 FDIDRO CC(C)c1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cnn1-c1ccccn1 ZINC000160120853 524814964 /nfs/dbraw/zinc/81/49/64/524814964.db2.gz KFCHMYSNCWWWHK-MRXNPFEDSA-N 1 0 371.485 1.967 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Oc2cnccn2)c1 ZINC000160135732 524817460 /nfs/dbraw/zinc/81/74/60/524817460.db2.gz FMOGKFLKTRTJKB-MRXNPFEDSA-N 1 0 356.426 1.846 20 70 FDIDRO Cc1oc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1S(=O)(=O)N1CCCC1 ZINC000160284040 524848005 /nfs/dbraw/zinc/84/80/05/524848005.db2.gz JPGMWLFPBSSHKP-OKILXGFUSA-N 1 0 367.471 1.339 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCc2cccnc2N(C)C)CC[N@@H+]1CCOC ZINC000160295072 524851473 /nfs/dbraw/zinc/85/14/73/524851473.db2.gz VMTOHBHYTIWVCF-QGZVFWFLSA-N 1 0 363.506 1.790 20 70 FDIDRO Cc1nc(CC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)s1 ZINC000160371428 524871120 /nfs/dbraw/zinc/87/11/20/524871120.db2.gz JRAPQPZGPDOBDS-OAHLLOKOSA-N 1 0 352.504 1.361 20 70 FDIDRO C[C@@H]1C[C@H](NC(=O)N(C)CCN2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000160402150 524879017 /nfs/dbraw/zinc/87/90/17/524879017.db2.gz CXVJNFHBEAIYKM-MJGOQNOKSA-N 1 0 360.502 1.623 20 70 FDIDRO COc1cccc(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160438289 524888964 /nfs/dbraw/zinc/88/89/64/524888964.db2.gz NWDMUOWRSKTYJZ-RTBURBONSA-N 1 0 362.470 1.958 20 70 FDIDRO NC(=O)c1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000160470265 524896775 /nfs/dbraw/zinc/89/67/75/524896775.db2.gz VDFRZVKBMFLQED-QZTJIDSGSA-N 1 0 353.422 1.151 20 70 FDIDRO Cc1cnccc1CCNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000160476232 524898160 /nfs/dbraw/zinc/89/81/60/524898160.db2.gz VJQWGVZBVFOTGZ-KRWDZBQOSA-N 1 0 361.490 1.174 20 70 FDIDRO Cc1ccc(F)c(OCC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000160487032 524901097 /nfs/dbraw/zinc/90/10/97/524901097.db2.gz FHNOHBXLHBVMRC-MRXNPFEDSA-N 1 0 363.433 1.454 20 70 FDIDRO Cc1cc(C)n2nc(C(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)nc2n1 ZINC000160505654 524903575 /nfs/dbraw/zinc/90/35/75/524903575.db2.gz QKGASRMUBPLMDG-HOTGVXAUSA-N 1 0 372.473 1.239 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000160531103 524910426 /nfs/dbraw/zinc/91/04/26/524910426.db2.gz CZJKMSQDPZWZDF-UHFFFAOYSA-N 1 0 359.430 1.469 20 70 FDIDRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160579366 524921600 /nfs/dbraw/zinc/92/16/00/524921600.db2.gz YGNKYRAKBPHJIU-BBRMVZONSA-N 1 0 367.877 1.421 20 70 FDIDRO O=C(CNC(=O)CC1CCCC1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160585279 524922644 /nfs/dbraw/zinc/92/26/44/524922644.db2.gz SDKATIPYJQRFPM-ROUUACIJSA-N 1 0 365.518 1.567 20 70 FDIDRO Cc1sc(=O)n(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1C ZINC000160611634 524929033 /nfs/dbraw/zinc/92/90/33/524929033.db2.gz FKCQZDSOZDUJHO-HZPDHXFCSA-N 1 0 367.515 1.411 20 70 FDIDRO Cc1sc(=O)n(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1C ZINC000160611514 524930107 /nfs/dbraw/zinc/93/01/07/524930107.db2.gz FKCQZDSOZDUJHO-HOTGVXAUSA-N 1 0 367.515 1.411 20 70 FDIDRO CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160633856 524932889 /nfs/dbraw/zinc/93/28/89/524932889.db2.gz HGCITUKHIPYZRT-HZPDHXFCSA-N 1 0 353.507 1.377 20 70 FDIDRO COCCc1noc(CN(C)C(=O)NCc2cccc(C[NH+](C)C)c2)n1 ZINC000160637667 524935099 /nfs/dbraw/zinc/93/50/99/524935099.db2.gz DZMWJGQTIMJAKV-UHFFFAOYSA-N 1 0 361.446 1.662 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ncn(-c2ccccc2)n1 ZINC000160649132 524937123 /nfs/dbraw/zinc/93/71/23/524937123.db2.gz OZLAKIJJWTWIOU-ZWKOTPCHSA-N 1 0 369.469 1.765 20 70 FDIDRO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnc3c(c2)ncn3C)ncn1 ZINC000160649308 524937471 /nfs/dbraw/zinc/93/74/71/524937471.db2.gz HUXRQGFKTIXUJN-ZDUSSCGKSA-N 1 0 366.429 1.199 20 70 FDIDRO Cc1sc2nc(CCC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)[nH]c(=O)c2c1C ZINC000160657255 524939392 /nfs/dbraw/zinc/93/93/92/524939392.db2.gz JGUVVSSYSQCCOY-BETUJISGSA-N 1 0 360.483 1.887 20 70 FDIDRO CC(C)C(=O)Nc1nc(CC(=O)NCC2CC[NH+](CCO)CC2)cs1 ZINC000160666386 524943350 /nfs/dbraw/zinc/94/33/50/524943350.db2.gz YUPOHZRMSVTCGW-UHFFFAOYSA-N 1 0 368.503 1.101 20 70 FDIDRO O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160673772 524944317 /nfs/dbraw/zinc/94/43/17/524944317.db2.gz GSAAKTMOYKSTGO-DLBZAZTESA-N 1 0 356.470 1.855 20 70 FDIDRO CCCCNC(=O)C1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160688095 524949509 /nfs/dbraw/zinc/94/95/09/524949509.db2.gz ZANPRVBUDPCTOC-KRWDZBQOSA-N 1 0 350.507 1.809 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000160717322 524955387 /nfs/dbraw/zinc/95/53/87/524955387.db2.gz BFIQFTSXWXNGKN-LJQANCHMSA-N 1 0 362.470 1.679 20 70 FDIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000160730469 524957759 /nfs/dbraw/zinc/95/77/59/524957759.db2.gz YEKJVVXDNNBNCJ-QZTJIDSGSA-N 1 0 356.470 1.744 20 70 FDIDRO CS(=O)(=O)c1csc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000160732192 524959434 /nfs/dbraw/zinc/95/94/34/524959434.db2.gz NDXPZXSJYKXMOS-UHFFFAOYSA-N 1 0 372.512 1.336 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)C1 ZINC000160782006 524971193 /nfs/dbraw/zinc/97/11/93/524971193.db2.gz VAZXGZHKSHJMKV-ZBFHGGJFSA-N 1 0 365.499 1.684 20 70 FDIDRO Cc1conc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000160817605 524976700 /nfs/dbraw/zinc/97/67/00/524976700.db2.gz LOFGAONTORUFHF-UHFFFAOYSA-N 1 0 366.368 1.790 20 70 FDIDRO CCC[C@H]1CN(C(=O)NC[C@@H](C)Cn2cccn2)CC[N@@H+]1CCOC ZINC000160830134 524979182 /nfs/dbraw/zinc/97/91/82/524979182.db2.gz SILHAOOZAOTRBL-SJORKVTESA-N 1 0 351.495 1.662 20 70 FDIDRO CCOC(=O)c1c(C)oc2nc(CN3CCC[C@H]([NH+](C)C)C3)nc(N)c21 ZINC000160855932 524983593 /nfs/dbraw/zinc/98/35/93/524983593.db2.gz FUKIOXDRMXNDRT-LBPRGKRZSA-N 1 0 361.446 1.816 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)co1 ZINC000160912566 524994536 /nfs/dbraw/zinc/99/45/36/524994536.db2.gz FAJUFXWIVROBKB-DOMZBBRYSA-N 1 0 367.471 1.277 20 70 FDIDRO CC(C)CCn1ccc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000160927936 524998683 /nfs/dbraw/zinc/99/86/83/524998683.db2.gz AUWSYFYTIOGPSX-INIZCTEOSA-N 1 0 350.511 1.934 20 70 FDIDRO Cn1cnc2cc(C(=O)NCc3ccnc(OCC[NH+](C)C)c3)cnc21 ZINC000161029073 525018120 /nfs/dbraw/zinc/01/81/20/525018120.db2.gz RXYDABZMZHHHKN-UHFFFAOYSA-N 1 0 354.414 1.234 20 70 FDIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161052119 525022584 /nfs/dbraw/zinc/02/25/84/525022584.db2.gz HVLSKTWDDNMMQR-INIZCTEOSA-N 1 0 358.446 1.714 20 70 FDIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000161098398 525032662 /nfs/dbraw/zinc/03/26/62/525032662.db2.gz ISDRGGBBLVMMPC-NVXWUHKLSA-N 1 0 372.473 1.738 20 70 FDIDRO CN(C)C(=O)Nc1ccc(C(=O)NCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000161177136 525050237 /nfs/dbraw/zinc/05/02/37/525050237.db2.gz BNFRHTPTWFHAGC-UHFFFAOYSA-N 1 0 367.881 1.411 20 70 FDIDRO CCC(=O)N1CC[C@H](C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000161180053 525050786 /nfs/dbraw/zinc/05/07/86/525050786.db2.gz JJKZNPPFZASLSI-KRWDZBQOSA-N 1 0 372.513 1.805 20 70 FDIDRO CCC(=O)N1CC[C@@H](C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000161193190 525052529 /nfs/dbraw/zinc/05/25/29/525052529.db2.gz MFIXXPOKFWNOSC-FGTMMUONSA-N 1 0 364.534 1.262 20 70 FDIDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2)[NH+](C)C ZINC000161234829 525062361 /nfs/dbraw/zinc/06/23/61/525062361.db2.gz YQSLBRGYZYYFQO-INIZCTEOSA-N 1 0 374.485 1.346 20 70 FDIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000161245819 525064422 /nfs/dbraw/zinc/06/44/22/525064422.db2.gz SKAKXBDQYFMWGF-INIZCTEOSA-N 1 0 355.442 1.720 20 70 FDIDRO CN(C)S(=O)(=O)c1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161264105 525067992 /nfs/dbraw/zinc/06/79/92/525067992.db2.gz OYGUUTJEZSHMCW-UHFFFAOYSA-N 1 0 354.472 1.712 20 70 FDIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000161282420 525071989 /nfs/dbraw/zinc/07/19/89/525071989.db2.gz OJHBGHAXHOCUDO-UHFFFAOYSA-N 1 0 366.550 1.687 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000161330986 525082786 /nfs/dbraw/zinc/08/27/86/525082786.db2.gz AXCBFSAPYROABU-ZDUSSCGKSA-N 1 0 359.879 1.219 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1nnn(-c2cccc3ncccc32)c1C ZINC000161352687 525086307 /nfs/dbraw/zinc/08/63/07/525086307.db2.gz PBVKNAHVTRBBQA-CQSZACIVSA-N 1 0 350.426 1.948 20 70 FDIDRO Cn1cnc(-c2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@H]3CO)cc2)n1 ZINC000161346674 525087511 /nfs/dbraw/zinc/08/75/11/525087511.db2.gz PLPFRYHBHCNUQX-KRWDZBQOSA-N 1 0 372.473 1.841 20 70 FDIDRO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)C1 ZINC000161388174 525097898 /nfs/dbraw/zinc/09/78/98/525097898.db2.gz GWSBLRHMMOQXHJ-YPMHNXCESA-N 1 0 358.426 1.293 20 70 FDIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2nc(S(C)(=O)=O)n3ccccc23)[C@@H](C)C1 ZINC000161388900 525099140 /nfs/dbraw/zinc/09/91/40/525099140.db2.gz ACLBJOBOZKEPAB-STQMWFEESA-N 1 0 364.471 1.196 20 70 FDIDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161441261 525108092 /nfs/dbraw/zinc/10/80/92/525108092.db2.gz PHIZZIYXLJCMJA-LSVZVQIISA-N 1 0 365.499 1.403 20 70 FDIDRO CC[C@H](C)OCC(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000161450068 525110115 /nfs/dbraw/zinc/11/01/15/525110115.db2.gz GGXJCEVYYNKLIK-INIZCTEOSA-N 1 0 350.459 1.829 20 70 FDIDRO C[C@@H](C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000161469987 525114255 /nfs/dbraw/zinc/11/42/55/525114255.db2.gz FDLXHCFSSBCHKE-ZYSHUDEJSA-N 1 0 373.497 1.479 20 70 FDIDRO [NH3+]C1(CNC(=O)CSCc2cc(=O)n3ccsc3n2)CCCCC1 ZINC000159562949 173681556 /nfs/dbraw/zinc/68/15/56/173681556.db2.gz XXFJNLYTDUKEKU-UHFFFAOYSA-N 1 0 366.512 1.767 20 70 FDIDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000160311399 173707105 /nfs/dbraw/zinc/70/71/05/173707105.db2.gz JZIHHUFNCFQKFH-CYBMUJFWSA-N 1 0 371.890 1.688 20 70 FDIDRO Cc1ccc(C)c(NC(=O)CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159399165 524662473 /nfs/dbraw/zinc/66/24/73/524662473.db2.gz RDSPGGLHEDWNJO-SFHVURJKSA-N 1 0 358.486 1.656 20 70 FDIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000159414359 524663887 /nfs/dbraw/zinc/66/38/87/524663887.db2.gz CZAIWXBCNXGWRD-INIZCTEOSA-N 1 0 361.877 1.902 20 70 FDIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000159417846 524665241 /nfs/dbraw/zinc/66/52/41/524665241.db2.gz BMFHRXRRCJBOMI-LJQANCHMSA-N 1 0 353.470 1.786 20 70 FDIDRO CCC(CC)[C@@H](CNC(=O)N[C@@H]1CCc2n[nH]cc2C1)[NH+]1CCOCC1 ZINC000159430130 524667189 /nfs/dbraw/zinc/66/71/89/524667189.db2.gz GDTSEERTKMLVHH-SJLPKXTDSA-N 1 0 363.506 1.703 20 70 FDIDRO Cc1cccn2c(C[N@@H+]3CCCC[C@H]3CCNS(C)(=O)=O)cnc12 ZINC000159428819 524668776 /nfs/dbraw/zinc/66/87/76/524668776.db2.gz ZIHUYSPVBJDZDD-HNNXBMFYSA-N 1 0 350.488 1.937 20 70 FDIDRO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000159438914 524670428 /nfs/dbraw/zinc/67/04/28/524670428.db2.gz VHGPHGXCASJTCM-AWEZNQCLSA-N 1 0 360.458 1.127 20 70 FDIDRO CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1C ZINC000159443591 524671969 /nfs/dbraw/zinc/67/19/69/524671969.db2.gz RMSXURHJUGQKKF-HNNXBMFYSA-N 1 0 374.485 1.387 20 70 FDIDRO CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)s1 ZINC000159506555 524686520 /nfs/dbraw/zinc/68/65/20/524686520.db2.gz FZBRVULAGSUTGW-UHFFFAOYSA-N 1 0 367.496 1.648 20 70 FDIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000159747594 524730710 /nfs/dbraw/zinc/73/07/10/524730710.db2.gz AHGONKLBTHWAEH-NEPJUHHUSA-N 1 0 350.385 1.131 20 70 FDIDRO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159744282 524731285 /nfs/dbraw/zinc/73/12/85/524731285.db2.gz KYKIEIZSYRVXKR-YJBOKZPZSA-N 1 0 367.515 1.137 20 70 FDIDRO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159753478 524732759 /nfs/dbraw/zinc/73/27/59/524732759.db2.gz YFTIUISYXVTWOU-HOCLYGCPSA-N 1 0 367.515 1.306 20 70 FDIDRO CC[NH+]1CCN(CCCNC(=O)c2cccc(OCC(F)(F)F)n2)CC1 ZINC000159808375 524743361 /nfs/dbraw/zinc/74/33/61/524743361.db2.gz LHOLBYUYAQETPT-UHFFFAOYSA-N 1 0 374.407 1.780 20 70 FDIDRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000159837214 524749863 /nfs/dbraw/zinc/74/98/63/524749863.db2.gz XKMQBIDUWOZITM-UNMCSNQZSA-N 1 0 365.477 1.973 20 70 FDIDRO CCOC(=O)c1cnn2c1nccc2C(=O)NCC[NH+]1CCCCCC1 ZINC000159868324 524757262 /nfs/dbraw/zinc/75/72/62/524757262.db2.gz PFVYKNMGRPXJLY-UHFFFAOYSA-N 1 0 359.430 1.512 20 70 FDIDRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159875414 524757653 /nfs/dbraw/zinc/75/76/53/524757653.db2.gz RRCGRNGHVSWNRG-OLZOCXBDSA-N 1 0 359.430 1.359 20 70 FDIDRO Cn1c2cccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cn3)c2oc1=O ZINC000159921454 524769672 /nfs/dbraw/zinc/76/96/72/524769672.db2.gz PQUHTAMRICIGHU-UHFFFAOYSA-N 1 0 367.409 1.531 20 70 FDIDRO CCOc1ccc2c(c1)C[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)CO2 ZINC000159941950 524772331 /nfs/dbraw/zinc/77/23/31/524772331.db2.gz WQTDHZYVRNIMBY-IRXDYDNUSA-N 1 0 362.470 1.599 20 70 FDIDRO CC(C)([NH3+])CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000159989877 524785742 /nfs/dbraw/zinc/78/57/42/524785742.db2.gz AGFKHASUUPOXAD-GFCCVEGCSA-N 1 0 354.248 1.656 20 70 FDIDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000160005540 524787058 /nfs/dbraw/zinc/78/70/58/524787058.db2.gz OHDXJTSIBWTRBG-WMZOPIPTSA-N 1 0 367.515 1.548 20 70 FDIDRO O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160011245 524790653 /nfs/dbraw/zinc/79/06/53/524790653.db2.gz DYVNIMOXEXGKND-CALCHBBNSA-N 1 0 362.495 1.692 20 70 FDIDRO Cc1ccc(C)n1-c1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cnn1C ZINC000160048849 524797587 /nfs/dbraw/zinc/79/75/87/524797587.db2.gz AINGVHGGNXPYOO-MRXNPFEDSA-N 1 0 359.474 1.404 20 70 FDIDRO C[C@H]1C[NH+](CCCNC(=O)N2CCCN(CC(F)F)CC2)C[C@H](C)O1 ZINC000160109088 524810857 /nfs/dbraw/zinc/81/08/57/524810857.db2.gz ZIXWGKRFZCIFEE-GJZGRUSLSA-N 1 0 362.465 1.468 20 70 FDIDRO Cc1c(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)cnn1-c1ccccc1 ZINC000160179346 524824604 /nfs/dbraw/zinc/82/46/04/524824604.db2.gz VNPOEEFGCCYRBX-HNNXBMFYSA-N 1 0 369.469 1.967 20 70 FDIDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@H]3OC)cn2)CC1 ZINC000160187549 524825737 /nfs/dbraw/zinc/82/57/37/524825737.db2.gz JMYSJJMLCXITQQ-IAGOWNOFSA-N 1 0 361.490 1.590 20 70 FDIDRO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160194964 524829809 /nfs/dbraw/zinc/82/98/09/524829809.db2.gz FXHIWEVGRRSZQA-ICSRJNTNSA-N 1 0 373.497 1.485 20 70 FDIDRO Cn1cnnc1[C@@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160214544 524833639 /nfs/dbraw/zinc/83/36/39/524833639.db2.gz SXOZNTMNXGIJBY-IRXDYDNUSA-N 1 0 356.474 1.371 20 70 FDIDRO Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000160253789 524840837 /nfs/dbraw/zinc/84/08/37/524840837.db2.gz IKUKXEHECMCFSY-ZDUSSCGKSA-N 1 0 359.474 1.975 20 70 FDIDRO COC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1C ZINC000160263220 524842870 /nfs/dbraw/zinc/84/28/70/524842870.db2.gz YXOXWBHUAJWOBY-OAHLLOKOSA-N 1 0 363.458 1.603 20 70 FDIDRO C[C@H]1C[C@@H](NC(=O)N2CCC[C@H](CC(N)=O)C2)C[N@@H+]1Cc1ccccc1 ZINC000160283079 524848369 /nfs/dbraw/zinc/84/83/69/524848369.db2.gz BPEALIVXUDPBNJ-CGTJXYLNSA-N 1 0 358.486 1.946 20 70 FDIDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160354457 524866246 /nfs/dbraw/zinc/86/62/46/524866246.db2.gz LGLWWMJSHDKORU-SJORKVTESA-N 1 0 366.506 1.140 20 70 FDIDRO O=C(NCCCC[NH+]1CCOCC1)N1CCO[C@@H](c2ccsc2)C1 ZINC000160392047 524875544 /nfs/dbraw/zinc/87/55/44/524875544.db2.gz AWFOJHZTVOPGFK-MRXNPFEDSA-N 1 0 353.488 1.943 20 70 FDIDRO CN(C[C@H]1CCC[C@H]1O)C(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000160412458 524882806 /nfs/dbraw/zinc/88/28/06/524882806.db2.gz LSTRHFSXQMDTCT-IEBWSBKVSA-N 1 0 360.502 1.891 20 70 FDIDRO C[C@@H](CNC(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1)[N@H+](C)C1CC1 ZINC000160430331 524887346 /nfs/dbraw/zinc/88/73/46/524887346.db2.gz HGLXQVYGCVDFFL-NSHDSACASA-N 1 0 359.430 1.431 20 70 FDIDRO CC(C)C[C@H](CNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)[NH+](C)C ZINC000160452740 524893033 /nfs/dbraw/zinc/89/30/33/524893033.db2.gz NDYDUXALDJULMZ-DNVCBOLYSA-N 1 0 360.458 1.447 20 70 FDIDRO CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C[C@@H]2CCC[NH2+]2)ccc1F ZINC000160467658 524895809 /nfs/dbraw/zinc/89/58/09/524895809.db2.gz AHELPLPTRWSRGK-NSHDSACASA-N 1 0 357.451 1.983 20 70 FDIDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c(C)[nH]c(C(=O)OC)c2C)CC1 ZINC000160466417 524895968 /nfs/dbraw/zinc/89/59/68/524895968.db2.gz JJGIIHLVDWFMLW-GFCCVEGCSA-N 1 0 350.463 1.174 20 70 FDIDRO C[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C(=O)c1cccc(F)c1 ZINC000160587817 524922430 /nfs/dbraw/zinc/92/24/30/524922430.db2.gz DDJKBZKEUILFMC-WMLDXEAASA-N 1 0 350.434 1.998 20 70 FDIDRO CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160602276 524926406 /nfs/dbraw/zinc/92/64/06/524926406.db2.gz OPRJBBMZDCIFIE-INIZCTEOSA-N 1 0 367.515 1.323 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)C1 ZINC000160604494 524927624 /nfs/dbraw/zinc/92/76/24/524927624.db2.gz LZEKROUJNIPRAM-GOEBONIOSA-N 1 0 353.488 1.118 20 70 FDIDRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160648323 524937417 /nfs/dbraw/zinc/93/74/17/524937417.db2.gz SRIWQTIHAFIKIS-AOOOYVTPSA-N 1 0 363.892 1.033 20 70 FDIDRO O=C(Cc1ccc2c(c1)OCCO2)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160666678 524941642 /nfs/dbraw/zinc/94/16/42/524941642.db2.gz WUXCKQFAGDTYSI-ZWKOTPCHSA-N 1 0 374.481 1.884 20 70 FDIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cncc(I)c2)C1 ZINC000160664167 524942245 /nfs/dbraw/zinc/94/22/45/524942245.db2.gz MHLNUPQHXYMTOB-SNVBAGLBSA-N 1 0 359.211 1.758 20 70 FDIDRO C[C@H](C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000160717688 524955835 /nfs/dbraw/zinc/95/58/35/524955835.db2.gz KLEBCPJFHMDCDG-KBXCAEBGSA-N 1 0 371.441 1.017 20 70 FDIDRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000160742276 524961617 /nfs/dbraw/zinc/96/16/17/524961617.db2.gz QUEFECSVBHPXQE-CQSZACIVSA-N 1 0 353.260 1.928 20 70 FDIDRO CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CCC[NH2+]CC1 ZINC000160845315 524982352 /nfs/dbraw/zinc/98/23/52/524982352.db2.gz JQKWXMYFTKYJEX-HUUCEWRRSA-N 1 0 368.522 1.034 20 70 FDIDRO Cc1c(CNC(=O)NC2CC[NH+](CCc3ccncc3)CC2)cnn1C ZINC000160870508 524986541 /nfs/dbraw/zinc/98/65/41/524986541.db2.gz HKFWUIPPPXVFFJ-UHFFFAOYSA-N 1 0 356.474 1.630 20 70 FDIDRO COC[C@H](O)CCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000160911730 524993373 /nfs/dbraw/zinc/99/33/73/524993373.db2.gz PZGOHOHJKGWBDN-NVXWUHKLSA-N 1 0 374.403 1.955 20 70 FDIDRO O=C(Nc1ccccc1)C1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000160992947 525012563 /nfs/dbraw/zinc/01/25/63/525012563.db2.gz GQXFSEAERPYACQ-RBUKOAKNSA-N 1 0 362.470 1.894 20 70 FDIDRO O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1=O)[C@H]1CCC[NH2+]C1 ZINC000161013112 525016805 /nfs/dbraw/zinc/01/68/05/525016805.db2.gz PNXMAFVXIUNNRA-NWDGAFQWSA-N 1 0 353.369 1.509 20 70 FDIDRO Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)CCC2 ZINC000161012581 525017462 /nfs/dbraw/zinc/01/74/62/525017462.db2.gz YCXQPESSQPNRQH-CQSZACIVSA-N 1 0 358.467 1.834 20 70 FDIDRO CO[C@@H]1CCN(S(=O)(=O)c2sccc2Br)[C@H](C[NH3+])C1 ZINC000161147425 525043306 /nfs/dbraw/zinc/04/33/06/525043306.db2.gz DMXVIKZRPLKASJ-DTWKUNHWSA-N 1 0 369.306 1.637 20 70 FDIDRO Cc1c(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cnn1-c1ccccc1 ZINC000161188694 525049854 /nfs/dbraw/zinc/04/98/54/525049854.db2.gz MCPZJFCIWHGBDT-OAHLLOKOSA-N 1 0 355.442 1.529 20 70 FDIDRO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000161189172 525050836 /nfs/dbraw/zinc/05/08/36/525050836.db2.gz ARFDNHHENQZMMX-MRXNPFEDSA-N 1 0 369.469 1.838 20 70 FDIDRO CC(=O)NC1CCC([NH2+]Cc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000161263959 525068313 /nfs/dbraw/zinc/06/83/13/525068313.db2.gz IELIFMYESXLNIN-UHFFFAOYSA-N 1 0 353.488 1.474 20 70 FDIDRO Cc1c(/C=C/C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cnn1C ZINC000161304186 525077153 /nfs/dbraw/zinc/07/71/53/525077153.db2.gz ZEDYGDAGWQFVHJ-VOTSOKGWSA-N 1 0 354.458 1.205 20 70 FDIDRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[NH2+]C)ccc1C ZINC000161343639 525084178 /nfs/dbraw/zinc/08/41/78/525084178.db2.gz KFFJRLOKAOMAGE-INIZCTEOSA-N 1 0 367.515 1.850 20 70 FDIDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCN2C(=O)NC[C@H]2C1 ZINC000161398031 525101273 /nfs/dbraw/zinc/10/12/73/525101273.db2.gz UBLMSELNGJFMFI-IRXDYDNUSA-N 1 0 357.458 1.243 20 70 FDIDRO C[NH+](C)C[C@@](C)(O)CNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000161414627 525102848 /nfs/dbraw/zinc/10/28/48/525102848.db2.gz JOYCTHWDEZKKDR-INIZCTEOSA-N 1 0 368.275 1.902 20 70 FDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000161425219 525105343 /nfs/dbraw/zinc/10/53/43/525105343.db2.gz RKVHKTOSSYIVJB-ZDUSSCGKSA-N 1 0 355.287 1.725 20 70 FDIDRO Cc1ccc(F)cc1S(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000161444280 525110294 /nfs/dbraw/zinc/11/02/94/525110294.db2.gz QUFYMJITLHPVHK-CQSZACIVSA-N 1 0 358.479 1.847 20 70 FDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc(Br)ccc1F ZINC000161482986 525117928 /nfs/dbraw/zinc/11/79/28/525117928.db2.gz JQQMDUWYIOUHQU-LBPRGKRZSA-N 1 0 369.256 1.179 20 70 FDIDRO Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164932552 721889896 /nfs/dbraw/zinc/88/98/96/721889896.db2.gz JAPHYWZQMMQUPG-HUUCEWRRSA-N 1 0 356.467 1.263 20 70 FDIDRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cncc(Br)c1 ZINC000217349757 178270006 /nfs/dbraw/zinc/27/00/06/178270006.db2.gz WOTTVPVSPRSLTJ-STQMWFEESA-N 1 0 360.277 1.749 20 70 FDIDRO NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000160113702 173700142 /nfs/dbraw/zinc/70/01/42/173700142.db2.gz FRAGLPKLMJEQOS-HNNXBMFYSA-N 1 0 351.472 1.425 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cnn(CC(F)F)c2)C1 ZINC000159366877 524654672 /nfs/dbraw/zinc/65/46/72/524654672.db2.gz RCLQMCBWHGFIMP-GFCCVEGCSA-N 1 0 357.405 1.181 20 70 FDIDRO CC[C@H]([NH3+])C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000159526175 524690586 /nfs/dbraw/zinc/69/05/86/524690586.db2.gz JJGNIDZODLVXLN-ZDUSSCGKSA-N 1 0 356.264 1.651 20 70 FDIDRO COc1ccc(-n2cc(CNC(=O)N(CC[NH+](C)C)C(C)C)nn2)cc1 ZINC000159544555 524693507 /nfs/dbraw/zinc/69/35/07/524693507.db2.gz IQVQZGVOLOEJKS-UHFFFAOYSA-N 1 0 360.462 1.758 20 70 FDIDRO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159633777 524713494 /nfs/dbraw/zinc/71/34/94/524713494.db2.gz HZWHPGGCXFMILQ-HNNXBMFYSA-N 1 0 367.515 1.782 20 70 FDIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000159668923 524716378 /nfs/dbraw/zinc/71/63/78/524716378.db2.gz LCCQPEOLUUGMPH-KGLIPLIRSA-N 1 0 351.495 1.578 20 70 FDIDRO COC(=O)c1sc2[nH]c(CN(C)C[C@@H]3CCC[C@@H]3O)nc(=O)c2c1C ZINC000159805175 524740448 /nfs/dbraw/zinc/74/04/48/524740448.db2.gz MJFOSPUTBAHRCF-QWRGUYRKSA-N 1 0 365.455 1.672 20 70 FDIDRO C[C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC[N@@H+]1Cc1ccccc1 ZINC000159814500 524742386 /nfs/dbraw/zinc/74/23/86/524742386.db2.gz MHFKXYFSXGICDG-GPWPYBQESA-N 1 0 370.453 1.098 20 70 FDIDRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000159815130 524745889 /nfs/dbraw/zinc/74/58/89/524745889.db2.gz DWDXNJMHVCQBIX-DLBZAZTESA-N 1 0 359.470 1.575 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)CC1 ZINC000159849676 524753575 /nfs/dbraw/zinc/75/35/75/524753575.db2.gz DRBUGPFHNTVKNT-HXUWFJFHSA-N 1 0 374.529 1.667 20 70 FDIDRO O=C(NC[C@H]1CCCS1(=O)=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000159860588 524755283 /nfs/dbraw/zinc/75/52/83/524755283.db2.gz SIVOZTIXRNQYDK-MRXNPFEDSA-N 1 0 357.520 1.660 20 70 FDIDRO C[C@@]1(O)CCCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000159868788 524757788 /nfs/dbraw/zinc/75/77/88/524757788.db2.gz QFYIILIXCQKTHJ-HXUWFJFHSA-N 1 0 360.502 1.361 20 70 FDIDRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159875185 524758273 /nfs/dbraw/zinc/75/82/73/524758273.db2.gz RRCGRNGHVSWNRG-STQMWFEESA-N 1 0 359.430 1.359 20 70 FDIDRO CCOC(=O)c1cnn2c1nccc2C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000159898321 524763069 /nfs/dbraw/zinc/76/30/69/524763069.db2.gz AMIVXDPOKJIZNL-CYBMUJFWSA-N 1 0 359.430 1.510 20 70 FDIDRO CC(C)N(CCc1nccs1)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000159911464 524766649 /nfs/dbraw/zinc/76/66/49/524766649.db2.gz WMCIYCKQROPSAE-OAHLLOKOSA-N 1 0 366.531 1.913 20 70 FDIDRO C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000159936335 524771691 /nfs/dbraw/zinc/77/16/91/524771691.db2.gz NEWIRPNHQJBPQP-DZGCQCFKSA-N 1 0 365.440 1.564 20 70 FDIDRO CCc1c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)[nH]c(C)c1C(N)=O ZINC000159935195 524771987 /nfs/dbraw/zinc/77/19/87/524771987.db2.gz ZOVOZXONHRTSFE-OAHLLOKOSA-N 1 0 356.470 1.887 20 70 FDIDRO O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159969631 524777160 /nfs/dbraw/zinc/77/71/60/524777160.db2.gz GMBGYQSBOKODMM-AWEZNQCLSA-N 1 0 368.861 1.617 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000159970587 524778662 /nfs/dbraw/zinc/77/86/62/524778662.db2.gz CPQVLTSBAUTDDU-QGZVFWFLSA-N 1 0 368.481 1.938 20 70 FDIDRO C[C@@H]1C[C@H](NC(=O)NC[C@H](O)COCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000159994272 524784532 /nfs/dbraw/zinc/78/45/32/524784532.db2.gz RKICQJWZKPPUMW-MNEFBYGVSA-N 1 0 361.486 1.736 20 70 FDIDRO COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160119425 524815158 /nfs/dbraw/zinc/81/51/58/524815158.db2.gz QXSXXZNFDZGLNR-GSARBKTLSA-N 1 0 357.454 1.566 20 70 FDIDRO COCCOc1ccc(Cl)cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160139143 524817634 /nfs/dbraw/zinc/81/76/34/524817634.db2.gz JRFIAFVOIHYUSX-OAHLLOKOSA-N 1 0 370.877 1.942 20 70 FDIDRO O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160144353 524817979 /nfs/dbraw/zinc/81/79/79/524817979.db2.gz JBBVSRSFEHYDTE-SSGOSMAHSA-N 1 0 371.481 1.555 20 70 FDIDRO CC(C)(C(=O)NCCC[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000160149526 524820505 /nfs/dbraw/zinc/82/05/05/524820505.db2.gz LLJWOYPKAOHIGK-UHFFFAOYSA-N 1 0 363.277 1.466 20 70 FDIDRO CC(=O)NC1CCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000160163456 524821826 /nfs/dbraw/zinc/82/18/26/524821826.db2.gz ZMSDLAPBZJKPNQ-KXBFYZLASA-N 1 0 358.486 1.960 20 70 FDIDRO O=C(NCCn1cccc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000160182838 524824034 /nfs/dbraw/zinc/82/40/34/524824034.db2.gz RJYGTFXLVHWIOD-UHFFFAOYSA-N 1 0 372.494 1.792 20 70 FDIDRO O=C(COc1ccc(Br)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160227358 524835565 /nfs/dbraw/zinc/83/55/65/524835565.db2.gz SPVLEIVPVBHWNA-AWEZNQCLSA-N 1 0 371.275 1.791 20 70 FDIDRO C[C@@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)C[NH+]1CCN(C)CC1 ZINC000160341893 524863300 /nfs/dbraw/zinc/86/33/00/524863300.db2.gz UJLGSHHPZCNILJ-LBPRGKRZSA-N 1 0 362.400 1.450 20 70 FDIDRO Cc1ccc(F)c(OCC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000160374308 524871000 /nfs/dbraw/zinc/87/10/00/524871000.db2.gz JWWTXQGLZUOXJL-INIZCTEOSA-N 1 0 365.449 1.572 20 70 FDIDRO CCC[N@@H+]1CCCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)CC1 ZINC000160376235 524871051 /nfs/dbraw/zinc/87/10/51/524871051.db2.gz TTYGJLPQWIRXDQ-VYDXJSESSA-N 1 0 368.547 1.657 20 70 FDIDRO Cc1nn(C)cc1C[NH2+]Cc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000160371731 524871739 /nfs/dbraw/zinc/87/17/39/524871739.db2.gz DFXMTVGOMHASCA-UHFFFAOYSA-N 1 0 371.485 1.679 20 70 FDIDRO Cc1c(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cnn1C1CCOCC1 ZINC000160408375 524881245 /nfs/dbraw/zinc/88/12/45/524881245.db2.gz XLVNBAAAKUPMSZ-QGZVFWFLSA-N 1 0 364.490 1.726 20 70 FDIDRO COc1cccc(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160438414 524889342 /nfs/dbraw/zinc/88/93/42/524889342.db2.gz NWDMUOWRSKTYJZ-RBUKOAKNSA-N 1 0 362.470 1.958 20 70 FDIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC1CCN(C(=O)c2cnccn2)CC1 ZINC000160442532 524889626 /nfs/dbraw/zinc/88/96/26/524889626.db2.gz NBRVLUSHRFMHPV-QGZVFWFLSA-N 1 0 374.489 1.063 20 70 FDIDRO COc1cccc(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160438010 524890624 /nfs/dbraw/zinc/89/06/24/524890624.db2.gz NWDMUOWRSKTYJZ-MOPGFXCFSA-N 1 0 362.470 1.958 20 70 FDIDRO CCS(=O)(=O)c1ccc(CCC(=O)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000160452203 524894116 /nfs/dbraw/zinc/89/41/16/524894116.db2.gz CXAFDIOHHFQTFD-QGZVFWFLSA-N 1 0 352.500 1.869 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000160452086 524894526 /nfs/dbraw/zinc/89/45/26/524894526.db2.gz SPFRYNYRYDMQNH-UHFFFAOYSA-N 1 0 367.924 1.656 20 70 FDIDRO CCOCCOc1ccccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160487005 524900977 /nfs/dbraw/zinc/90/09/77/524900977.db2.gz UQPORPDQERRZMC-INIZCTEOSA-N 1 0 350.459 1.679 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccccc1OC[C@H]1CCCO1 ZINC000160550391 524913811 /nfs/dbraw/zinc/91/38/11/524913811.db2.gz PEPQYOSRWSMUGA-QGZVFWFLSA-N 1 0 362.470 1.679 20 70 FDIDRO O=C(COc1ccc(C(F)(F)F)cc1)NCC1CC[NH+](CCO)CC1 ZINC000160562113 524916157 /nfs/dbraw/zinc/91/61/57/524916157.db2.gz XJPOYIPABXSBEJ-UHFFFAOYSA-N 1 0 360.376 1.905 20 70 FDIDRO COc1ccc(CCC(=O)NCC2CC[NH+](CCO)CC2)cc1OC ZINC000160601150 524925661 /nfs/dbraw/zinc/92/56/61/524925661.db2.gz YCOOXHOUXKGAII-UHFFFAOYSA-N 1 0 350.459 1.457 20 70 FDIDRO O=C(CCCNC(=O)NC1CCCCC1)NCC1CC[NH+](CCO)CC1 ZINC000160620193 524930805 /nfs/dbraw/zinc/93/08/05/524930805.db2.gz BCRJKLVUJFTZGC-UHFFFAOYSA-N 1 0 368.522 1.219 20 70 FDIDRO CS(=O)(=O)c1ccc(OCCCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160641367 524935489 /nfs/dbraw/zinc/93/54/89/524935489.db2.gz GNNQGGACTSPXOT-GASCZTMLSA-N 1 0 366.483 1.602 20 70 FDIDRO CCCNC(=O)CCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000160772275 524968407 /nfs/dbraw/zinc/96/84/07/524968407.db2.gz MNEFPSZZOUPHCQ-UHFFFAOYSA-N 1 0 361.486 1.537 20 70 FDIDRO CCOC(=O)C1CCN(C(=O)CN(C)CCC[NH+]2CCCCC2)CC1 ZINC000160832567 524978901 /nfs/dbraw/zinc/97/89/01/524978901.db2.gz VYGCNDNVOZRGSN-UHFFFAOYSA-N 1 0 353.507 1.596 20 70 FDIDRO CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CCC[NH2+]CC1 ZINC000160845188 524981402 /nfs/dbraw/zinc/98/14/02/524981402.db2.gz JQKWXMYFTKYJEX-CABCVRRESA-N 1 0 368.522 1.034 20 70 FDIDRO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CCC[NH2+]CC1 ZINC000160868926 524986440 /nfs/dbraw/zinc/98/64/40/524986440.db2.gz DUTFTKMJWUVDDD-LBPRGKRZSA-N 1 0 366.259 1.624 20 70 FDIDRO CNC(=O)c1cccc(CCC(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000160913642 524996862 /nfs/dbraw/zinc/99/68/62/524996862.db2.gz OCKAQYKGBIEHFR-UHFFFAOYSA-N 1 0 360.502 1.121 20 70 FDIDRO Cc1conc1NC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000160971880 525006236 /nfs/dbraw/zinc/00/62/36/525006236.db2.gz SSOGATPGSGVMHP-KBPBESRZSA-N 1 0 364.446 1.269 20 70 FDIDRO C[NH+]1CCN(c2cc(CNC(=O)NOCc3cccnc3)ccn2)CC1 ZINC000161061479 525023721 /nfs/dbraw/zinc/02/37/21/525023721.db2.gz VUKDLIGYAASSRI-UHFFFAOYSA-N 1 0 356.430 1.159 20 70 FDIDRO CCC[C@H]1CN(c2nc(C(C)C)nc(N(C)C)n2)CC[N@@H+]1CCOC ZINC000161077028 525028046 /nfs/dbraw/zinc/02/80/46/525028046.db2.gz GNBGMIWAGKSHLD-HNNXBMFYSA-N 1 0 350.511 1.998 20 70 FDIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000161099254 525033915 /nfs/dbraw/zinc/03/39/15/525033915.db2.gz IOTDMQNAJRCNIS-CABCVRRESA-N 1 0 353.488 1.942 20 70 FDIDRO CO[C@@H]1CCN(C(=O)c2cccc(I)c2)[C@@H](C[NH3+])C1 ZINC000161104827 525036082 /nfs/dbraw/zinc/03/60/82/525036082.db2.gz HOTIWTWRICKVKW-CHWSQXEVSA-N 1 0 374.222 1.870 20 70 FDIDRO CC(=O)NC1CCC(Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000161144026 525040594 /nfs/dbraw/zinc/04/05/94/525040594.db2.gz QZEZDDKZHDUPFE-FAFZWHIHSA-N 1 0 358.486 1.996 20 70 FDIDRO C[NH+](C)C1(CNC(=O)NCCOc2ncccc2Cl)CCOCC1 ZINC000161136845 525042573 /nfs/dbraw/zinc/04/25/73/525042573.db2.gz AJIQZXDWOFZZMD-UHFFFAOYSA-N 1 0 356.854 1.524 20 70 FDIDRO O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000161172236 525047487 /nfs/dbraw/zinc/04/74/87/525047487.db2.gz GKNAPRQUDPQMTF-QGZVFWFLSA-N 1 0 365.499 1.239 20 70 FDIDRO CCC(=O)N1CC[C@H](C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000161193315 525052092 /nfs/dbraw/zinc/05/20/92/525052092.db2.gz MFIXXPOKFWNOSC-BZSNNMDCSA-N 1 0 364.534 1.262 20 70 FDIDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000161258491 525066010 /nfs/dbraw/zinc/06/60/10/525066010.db2.gz DAVHSFUFVKGWFR-AWEZNQCLSA-N 1 0 357.458 1.966 20 70 FDIDRO CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1 ZINC000161418864 525104329 /nfs/dbraw/zinc/10/43/29/525104329.db2.gz UOZQYDYTNOQYMI-HNNXBMFYSA-N 1 0 360.458 1.122 20 70 FDIDRO CC(C)n1cc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000161446534 525110221 /nfs/dbraw/zinc/11/02/21/525110221.db2.gz PXAJPVDAWYDYND-CQSZACIVSA-N 1 0 358.508 1.177 20 70 FDIDRO Cc1nc(-c2ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc2)co1 ZINC000161458898 525113762 /nfs/dbraw/zinc/11/37/62/525113762.db2.gz FIODAHDWESLDMA-MRXNPFEDSA-N 1 0 353.444 1.241 20 70 FDIDRO Cc1cc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1F ZINC000161459394 525114024 /nfs/dbraw/zinc/11/40/24/525114024.db2.gz FFAALTBIJWJXBA-CQSZACIVSA-N 1 0 358.479 1.847 20 70 FDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000161478901 525115553 /nfs/dbraw/zinc/11/55/53/525115553.db2.gz HEYDHPGRASEYPE-LBPRGKRZSA-N 1 0 374.812 1.950 20 70 FDIDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc(S(N)(=O)=O)o3)CC2)CC1 ZINC000161477093 525115591 /nfs/dbraw/zinc/11/55/91/525115591.db2.gz VAKQQRQQFXZLOD-UHFFFAOYSA-N 1 0 369.487 1.700 20 70 FDIDRO [NH3+]CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000159994292 173694420 /nfs/dbraw/zinc/69/44/20/173694420.db2.gz BAHCLNXURQKIOA-GFCCVEGCSA-N 1 0 359.879 1.206 20 70 FDIDRO COc1cccc(CO[C@@H](C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160469736 173712828 /nfs/dbraw/zinc/71/28/28/173712828.db2.gz HEQHWIYBDXBJTE-DOTOQJQBSA-N 1 0 350.459 1.563 20 70 FDIDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccnn2C[C@@H]2CCOC2)C[C@H](C)O1 ZINC000159368866 524652998 /nfs/dbraw/zinc/65/29/98/524652998.db2.gz NUHONXZWUAZUJT-XHSDSOJGSA-N 1 0 365.478 1.540 20 70 FDIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000159382041 524657797 /nfs/dbraw/zinc/65/77/97/524657797.db2.gz HOSSZBKBDBTYSE-CQSZACIVSA-N 1 0 361.471 1.712 20 70 FDIDRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1F ZINC000159442144 524670271 /nfs/dbraw/zinc/67/02/71/524670271.db2.gz GDXSJOMCSURWBK-ZDUSSCGKSA-N 1 0 351.422 1.867 20 70 FDIDRO COc1ccc(CC(=O)NCc2ccc(C(=O)N3CC[NH2+]CC3)cc2)cc1 ZINC000159448078 524672503 /nfs/dbraw/zinc/67/25/03/524672503.db2.gz DVHXCQNIEUSWMR-UHFFFAOYSA-N 1 0 367.449 1.600 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000159461977 524677031 /nfs/dbraw/zinc/67/70/31/524677031.db2.gz FKOKRMNOIXTYJD-KRWDZBQOSA-N 1 0 361.490 1.544 20 70 FDIDRO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000159469393 524679596 /nfs/dbraw/zinc/67/95/96/524679596.db2.gz FHQWZYDNSVOLED-MRXNPFEDSA-N 1 0 374.485 1.702 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000159524295 524688771 /nfs/dbraw/zinc/68/87/71/524688771.db2.gz QBAHYXGMDDYAJB-UHFFFAOYSA-N 1 0 352.523 1.759 20 70 FDIDRO Cc1cc(Cl)ccc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000159532679 524691597 /nfs/dbraw/zinc/69/15/97/524691597.db2.gz BCWWVSBLIIAQFK-UHFFFAOYSA-N 1 0 363.849 1.775 20 70 FDIDRO Cn1c2cc(C(=O)N3CCC(OCC[NH+]4CCCC4)CC3)ccc2[nH]c1=O ZINC000159571074 524699220 /nfs/dbraw/zinc/69/92/20/524699220.db2.gz QGZAXQDBWAKREN-UHFFFAOYSA-N 1 0 372.469 1.584 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)CC1 ZINC000159568323 524700472 /nfs/dbraw/zinc/70/04/72/524700472.db2.gz PGFZTUMQIPHXDC-QGZVFWFLSA-N 1 0 364.490 1.699 20 70 FDIDRO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159628201 524711136 /nfs/dbraw/zinc/71/11/36/524711136.db2.gz RHHNCQHJHPDLOZ-KEYYUXOJSA-N 1 0 350.459 1.974 20 70 FDIDRO CNS(=O)(=O)c1cccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159792670 524739155 /nfs/dbraw/zinc/73/91/55/524739155.db2.gz KEHRGQVKNIJDPA-UHFFFAOYSA-N 1 0 351.472 1.199 20 70 FDIDRO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000159797461 524741504 /nfs/dbraw/zinc/74/15/04/524741504.db2.gz FHUAGWFJIQIWTD-JKSUJKDBSA-N 1 0 367.515 1.880 20 70 FDIDRO COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000159815399 524744966 /nfs/dbraw/zinc/74/49/66/524744966.db2.gz BWCYKWHAWHKFSL-AWEZNQCLSA-N 1 0 369.897 1.533 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)co1 ZINC000159816588 524746019 /nfs/dbraw/zinc/74/60/19/524746019.db2.gz XXRSAUKKEVUBQJ-UHFFFAOYSA-N 1 0 355.460 1.278 20 70 FDIDRO CC(=O)N1CC[C@H](CN(C)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000159828077 524747229 /nfs/dbraw/zinc/74/72/29/524747229.db2.gz UCUCNMSMEVNOSP-MOPGFXCFSA-N 1 0 360.502 1.669 20 70 FDIDRO O=C(CCN1C(=O)COc2ccccc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000159854941 524753939 /nfs/dbraw/zinc/75/39/39/524753939.db2.gz HFUBWYCNCBZYAX-UHFFFAOYSA-N 1 0 357.454 1.793 20 70 FDIDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)cc1 ZINC000159866922 524756252 /nfs/dbraw/zinc/75/62/52/524756252.db2.gz JORZLXKEXFDYLU-KGLIPLIRSA-N 1 0 373.457 1.747 20 70 FDIDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCNC(=O)C1CC1 ZINC000159885276 524759297 /nfs/dbraw/zinc/75/92/97/524759297.db2.gz UVDPOBUOIPJGCK-UHFFFAOYSA-N 1 0 359.474 1.466 20 70 FDIDRO CC(C)NC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159902214 524763857 /nfs/dbraw/zinc/76/38/57/524763857.db2.gz UAXARHFOLLBHKU-INIZCTEOSA-N 1 0 355.442 1.793 20 70 FDIDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000159907599 524765299 /nfs/dbraw/zinc/76/52/99/524765299.db2.gz XLZXXMUNXXKXPR-CABCVRRESA-N 1 0 353.467 1.398 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000159972526 524779622 /nfs/dbraw/zinc/77/96/22/524779622.db2.gz FZNQIUFSBCTRHW-LJQANCHMSA-N 1 0 372.513 1.957 20 70 FDIDRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2nocc2C)[NH+]2CCCC2)c1 ZINC000160041536 524794559 /nfs/dbraw/zinc/79/45/59/524794559.db2.gz JQRNEURLDVYHOQ-MRXNPFEDSA-N 1 0 372.425 1.883 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000160041009 524795068 /nfs/dbraw/zinc/79/50/68/524795068.db2.gz SLVXZBKJSDUCJO-KURKYZTESA-N 1 0 365.518 1.378 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000160102783 524809921 /nfs/dbraw/zinc/80/99/21/524809921.db2.gz FOUOCWAIAMXKOW-PKOBYXMFSA-N 1 0 362.470 1.821 20 70 FDIDRO CN(C[C@H]1CCC[C@@H]1O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000160127603 524813655 /nfs/dbraw/zinc/81/36/55/524813655.db2.gz NOURQRKRCOLNSX-SJORKVTESA-N 1 0 361.490 1.136 20 70 FDIDRO Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160137716 524817212 /nfs/dbraw/zinc/81/72/12/524817212.db2.gz MQARYTAXWWPDHE-MOPGFXCFSA-N 1 0 373.497 1.449 20 70 FDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000160215652 524832540 /nfs/dbraw/zinc/83/25/40/524832540.db2.gz REFSEJRFXSRONO-SECBINFHSA-N 1 0 370.194 1.731 20 70 FDIDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160234770 524836683 /nfs/dbraw/zinc/83/66/83/524836683.db2.gz ATHRDALYFACGLU-WMZOPIPTSA-N 1 0 352.523 1.611 20 70 FDIDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)CC2)CCO1 ZINC000160268277 524845088 /nfs/dbraw/zinc/84/50/88/524845088.db2.gz SVPMFTAXHWTHLK-KYJSFNMBSA-N 1 0 351.491 1.839 20 70 FDIDRO C[C@H]1CC(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000160347246 524864463 /nfs/dbraw/zinc/86/44/63/524864463.db2.gz FDVXIDHMGOXDOA-KBPBESRZSA-N 1 0 350.463 1.777 20 70 FDIDRO Cc1[nH]c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)c1C(=O)OC(C)C ZINC000160358380 524867474 /nfs/dbraw/zinc/86/74/74/524867474.db2.gz BDZCLIBGSOMWIN-OAHLLOKOSA-N 1 0 365.474 1.773 20 70 FDIDRO C[C@@H]1C[C@@H](NC(=O)N(C)CCN2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000160402406 524881390 /nfs/dbraw/zinc/88/13/90/524881390.db2.gz CXVJNFHBEAIYKM-IEBWSBKVSA-N 1 0 360.502 1.623 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1CC ZINC000160413130 524882029 /nfs/dbraw/zinc/88/20/29/524882029.db2.gz GCJVNOMHFBJGIG-GUYCJALGSA-N 1 0 361.490 1.520 20 70 FDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)CC2 ZINC000160441297 524889460 /nfs/dbraw/zinc/88/94/60/524889460.db2.gz RQCVDLMMKUNQDQ-ZWNOBZJWSA-N 1 0 352.435 1.795 20 70 FDIDRO Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)c(C)o1 ZINC000160450241 524892348 /nfs/dbraw/zinc/89/23/48/524892348.db2.gz DXCLPJZIUIDKON-OAHLLOKOSA-N 1 0 356.426 1.640 20 70 FDIDRO C[NH+](C)CCN(C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)C1CCCC1 ZINC000160457987 524892950 /nfs/dbraw/zinc/89/29/50/524892950.db2.gz FXBOWHGHSYTGBL-HXUWFJFHSA-N 1 0 372.469 1.688 20 70 FDIDRO COc1ccc(CN2C[C@@H](C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2=O)cc1 ZINC000160457006 524894128 /nfs/dbraw/zinc/89/41/28/524894128.db2.gz SEGPHIDJLMBGMV-YESZJQIVSA-N 1 0 357.454 1.397 20 70 FDIDRO O=C(CCN1C(=O)CCc2ccccc21)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160467888 524896305 /nfs/dbraw/zinc/89/63/05/524896305.db2.gz BAOYRYAABVEGIW-KRWDZBQOSA-N 1 0 359.470 1.319 20 70 FDIDRO COCC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000160471884 524896970 /nfs/dbraw/zinc/89/69/70/524896970.db2.gz LVSGHMJBWKMCQG-LBPRGKRZSA-N 1 0 371.840 1.526 20 70 FDIDRO CCN(CC)C(=O)CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160503397 524904917 /nfs/dbraw/zinc/90/49/17/524904917.db2.gz XAMYNTMXCYZYDH-SJORKVTESA-N 1 0 353.507 1.519 20 70 FDIDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)C2)CC1 ZINC000160543991 524911981 /nfs/dbraw/zinc/91/19/81/524911981.db2.gz GIOLWIPENOCEAZ-KURKYZTESA-N 1 0 350.507 1.365 20 70 FDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2nccs2)C1 ZINC000160543652 524912782 /nfs/dbraw/zinc/91/27/82/524912782.db2.gz IILLKYSLXYHZKO-UONOGXRCSA-N 1 0 350.488 1.733 20 70 FDIDRO CCOC(=O)c1c(C)oc2nc(CN3CCC([NH+](C)C)CC3)nc(N)c21 ZINC000160555418 524913794 /nfs/dbraw/zinc/91/37/94/524913794.db2.gz SJLZLKTWCDCSKL-UHFFFAOYSA-N 1 0 361.446 1.816 20 70 FDIDRO CC(C)NC(=O)Nc1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160571745 524918385 /nfs/dbraw/zinc/91/83/85/524918385.db2.gz ZGNFYGCXAZLXJG-UHFFFAOYSA-N 1 0 362.474 1.651 20 70 FDIDRO Cc1ccc(S(N)(=O)=O)c(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000160596484 524925305 /nfs/dbraw/zinc/92/53/05/524925305.db2.gz AOACHUXGDRJUCF-OAHLLOKOSA-N 1 0 367.515 1.884 20 70 FDIDRO CCS(=O)(=O)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160633333 524933011 /nfs/dbraw/zinc/93/30/11/524933011.db2.gz TUWOMZCFXPGYBR-HNNXBMFYSA-N 1 0 354.472 1.057 20 70 FDIDRO CSc1nc(C)c(CCC(=O)NCC2CC[NH+](CCO)CC2)c(C)n1 ZINC000160655063 524939417 /nfs/dbraw/zinc/93/94/17/524939417.db2.gz KDGHVGYHQZMMGE-UHFFFAOYSA-N 1 0 366.531 1.568 20 70 FDIDRO COc1ccc(-c2nnc(CNC(=O)N[C@H]3CC[N@H+](CC4CC4)C3)[nH]2)cc1 ZINC000160669907 524944823 /nfs/dbraw/zinc/94/48/23/524944823.db2.gz KHRHOFKGLKTSPB-HNNXBMFYSA-N 1 0 370.457 1.764 20 70 FDIDRO Cc1ccc(CCC(=O)NCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160684769 524947353 /nfs/dbraw/zinc/94/73/53/524947353.db2.gz FLQKDWPORKTBKK-GOSISDBHSA-N 1 0 361.486 1.007 20 70 FDIDRO O=C(CCC(=O)c1ccc2c(c1)CCC2)NCC1CC[NH+](CCO)CC1 ZINC000160677883 524947587 /nfs/dbraw/zinc/94/75/87/524947587.db2.gz LGTWIGYLUQXFJQ-UHFFFAOYSA-N 1 0 358.482 1.959 20 70 FDIDRO O=C(c1csc([C@@H]2CCCO2)n1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000160699360 524951996 /nfs/dbraw/zinc/95/19/96/524951996.db2.gz KUEQHFRFDVFJJI-INIZCTEOSA-N 1 0 364.515 1.848 20 70 FDIDRO C[NH+](C)CCN1CCC(NC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160775086 524967844 /nfs/dbraw/zinc/96/78/44/524967844.db2.gz LMMHZUHBBZKNTM-UHFFFAOYSA-N 1 0 362.400 1.593 20 70 FDIDRO O=C(NC[C@H](O)COc1ccc(F)cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160785774 524969918 /nfs/dbraw/zinc/96/99/18/524969918.db2.gz CXWVSWJVFIBXRM-RDJZCZTQSA-N 1 0 365.449 1.882 20 70 FDIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000160784187 524970622 /nfs/dbraw/zinc/97/06/22/524970622.db2.gz CPXPGHSEYOYHQI-WMZOPIPTSA-N 1 0 356.470 1.886 20 70 FDIDRO COC[C@@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000160909491 524994994 /nfs/dbraw/zinc/99/49/94/524994994.db2.gz NYKUGUSSKAHRGF-PWSUYJOCSA-N 1 0 365.211 1.655 20 70 FDIDRO CC(C)[NH+](CCS[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)C ZINC000160976855 525009450 /nfs/dbraw/zinc/00/94/50/525009450.db2.gz WDODWIQQBZBUBS-LBPRGKRZSA-N 1 0 370.519 1.089 20 70 FDIDRO O=C(Nc1ccccc1)C1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000160992824 525013573 /nfs/dbraw/zinc/01/35/73/525013573.db2.gz GQXFSEAERPYACQ-MOPGFXCFSA-N 1 0 362.470 1.894 20 70 FDIDRO C[C@@H]1C[C@H](NS(=O)(=O)CCC(=O)OCc2ccccc2)C[N@@H+]1C1CC1 ZINC000161021553 525019224 /nfs/dbraw/zinc/01/92/24/525019224.db2.gz DCDNQKIHFRNRNC-ZBFHGGJFSA-N 1 0 366.483 1.665 20 70 FDIDRO CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000161122975 525036684 /nfs/dbraw/zinc/03/66/84/525036684.db2.gz GAPBJFIFOAXNJK-ZACQAIPSSA-N 1 0 353.507 1.944 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000161139553 525040670 /nfs/dbraw/zinc/04/06/70/525040670.db2.gz CWLXHXLIYHTFPT-XJKSGUPXSA-N 1 0 360.458 1.959 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161139323 525042322 /nfs/dbraw/zinc/04/23/22/525042322.db2.gz CWLXHXLIYHTFPT-CZUORRHYSA-N 1 0 360.458 1.959 20 70 FDIDRO Cc1c(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)cccc1S(N)(=O)=O ZINC000161201218 525054669 /nfs/dbraw/zinc/05/46/69/525054669.db2.gz HBAVFPMOFKNXCF-HNNXBMFYSA-N 1 0 367.515 1.883 20 70 FDIDRO CCN(C[C@@H]1CCN(C(=O)NC2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000161231884 525061276 /nfs/dbraw/zinc/06/12/76/525061276.db2.gz CDVIBDNZDAIIBX-ZDUSSCGKSA-N 1 0 350.429 1.996 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)cnn1-c1ccccc1F ZINC000161251830 525063559 /nfs/dbraw/zinc/06/35/59/525063559.db2.gz AHDSTKUXTRDUAX-ZDUSSCGKSA-N 1 0 359.405 1.469 20 70 FDIDRO CCOC(=O)[C@H]1CCCN(C(=O)CN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000161292194 525073924 /nfs/dbraw/zinc/07/39/24/525073924.db2.gz LIOFCMSOMXJYMF-INIZCTEOSA-N 1 0 360.458 1.005 20 70 FDIDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC(F)(F)F ZINC000161297993 525074340 /nfs/dbraw/zinc/07/43/40/525074340.db2.gz TUDBOVWQQPEQQL-ZDUSSCGKSA-N 1 0 360.380 1.137 20 70 FDIDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)[C@@H]1CC[NH2+]C1 ZINC000161292221 525074864 /nfs/dbraw/zinc/07/48/64/525074864.db2.gz IOLCMYJGEGRINW-RISCZKNCSA-N 1 0 353.369 1.509 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000161372807 525096607 /nfs/dbraw/zinc/09/66/07/525096607.db2.gz FRDKBVMMUYJQKD-HNNXBMFYSA-N 1 0 353.488 1.540 20 70 FDIDRO CCNS(=O)(=O)[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000161382761 525098229 /nfs/dbraw/zinc/09/82/29/525098229.db2.gz HQORTBZMCGTMOG-HNNXBMFYSA-N 1 0 359.536 1.285 20 70 FDIDRO Cc1cc(F)ccc1S(=O)(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000161461117 525113792 /nfs/dbraw/zinc/11/37/92/525113792.db2.gz HRBSGSMMKRFSQB-AWEZNQCLSA-N 1 0 358.479 1.847 20 70 FDIDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CCn3ccnc3C2)cc1 ZINC000161460230 525114043 /nfs/dbraw/zinc/11/40/43/525114043.db2.gz SUJFSUBGKIDJTQ-KRWDZBQOSA-N 1 0 369.469 1.053 20 70 FDIDRO Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1C ZINC000161496318 525119485 /nfs/dbraw/zinc/11/94/85/525119485.db2.gz BKFZYURSMFUVHB-KGLIPLIRSA-N 1 0 353.488 1.553 20 70 FDIDRO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000159407324 173676571 /nfs/dbraw/zinc/67/65/71/173676571.db2.gz YEDWIHGNDLXDJV-QGZVFWFLSA-N 1 0 353.488 1.939 20 70 FDIDRO O=C(/C=C/c1cnn(-c2ccccc2)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160195492 173701289 /nfs/dbraw/zinc/70/12/89/173701289.db2.gz RKZYNWVSRZLJFP-YXBWYFRISA-N 1 0 354.454 1.849 20 70 FDIDRO O=C(CCNC(=O)C1CCCCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160329896 173706737 /nfs/dbraw/zinc/70/67/37/173706737.db2.gz BNQCETDGSPOMDW-UHFFFAOYSA-N 1 0 365.518 1.644 20 70 FDIDRO O=C(CNC(=O)c1cccs1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160339419 173707833 /nfs/dbraw/zinc/70/78/33/173707833.db2.gz FDWWXJNKVXUXMS-HUUCEWRRSA-N 1 0 365.499 1.362 20 70 FDIDRO COc1cc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc(OC)c1 ZINC000159410406 524664479 /nfs/dbraw/zinc/66/44/79/524664479.db2.gz QJQAOXAYUYERJO-OAHLLOKOSA-N 1 0 356.488 1.998 20 70 FDIDRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)ccc1C(N)=O ZINC000159437089 524669624 /nfs/dbraw/zinc/66/96/24/524669624.db2.gz MGGLUVSYCIIONW-AWEZNQCLSA-N 1 0 360.458 1.127 20 70 FDIDRO O=C(NCCc1cscn1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000159441839 524670411 /nfs/dbraw/zinc/67/04/11/524670411.db2.gz XQKSFIBNBWDQFP-UHFFFAOYSA-N 1 0 352.504 1.972 20 70 FDIDRO C[NH+]1CCC(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000159485922 524682357 /nfs/dbraw/zinc/68/23/57/524682357.db2.gz FTFGFDUIKOBPAJ-CQSZACIVSA-N 1 0 354.834 1.603 20 70 FDIDRO CCC[NH+](CCC)CCCC(=O)NC1CCC(C(=O)NC(N)=O)CC1 ZINC000159555881 524695434 /nfs/dbraw/zinc/69/54/34/524695434.db2.gz HIISJLKHQHLQQD-UHFFFAOYSA-N 1 0 354.495 1.759 20 70 FDIDRO Cc1nn(C)cc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159619795 524709935 /nfs/dbraw/zinc/70/99/35/524709935.db2.gz ALFAEDHHKUCCQI-UHFFFAOYSA-N 1 0 364.471 1.039 20 70 FDIDRO Cc1ccccc1[C@@H](C)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000159656172 524715686 /nfs/dbraw/zinc/71/56/86/524715686.db2.gz UHCCDZPKPLAPDX-MRXNPFEDSA-N 1 0 367.515 1.687 20 70 FDIDRO CC(C)C[C@H]([NH3+])C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000159662013 524716234 /nfs/dbraw/zinc/71/62/34/524716234.db2.gz LLEXZYZKQMZQMD-KRWDZBQOSA-N 1 0 367.515 1.470 20 70 FDIDRO CC[C@@H](CO)[NH+]1CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000159742060 524730459 /nfs/dbraw/zinc/73/04/59/524730459.db2.gz KMLNFNMETTZKME-GJZGRUSLSA-N 1 0 370.291 1.364 20 70 FDIDRO CN1CC[NH+](CCCCNC(=O)CCc2nc(-c3ccoc3)no2)CC1 ZINC000159779290 524738000 /nfs/dbraw/zinc/73/80/00/524738000.db2.gz IDCPHLUGNWDNTL-UHFFFAOYSA-N 1 0 361.446 1.406 20 70 FDIDRO COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc(C)nc2)[NH+](C)C)c1 ZINC000159801828 524740368 /nfs/dbraw/zinc/74/03/68/524740368.db2.gz JRNXNXARCBWTLF-KRWDZBQOSA-N 1 0 356.426 1.756 20 70 FDIDRO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159797685 524741186 /nfs/dbraw/zinc/74/11/86/524741186.db2.gz FHUAGWFJIQIWTD-HZPDHXFCSA-N 1 0 367.515 1.880 20 70 FDIDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCNC2=O)cc1 ZINC000159870819 524758572 /nfs/dbraw/zinc/75/85/72/524758572.db2.gz VLIFJWKRZXHMAY-STQMWFEESA-N 1 0 357.414 1.065 20 70 FDIDRO C[C@H](O)C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccccc1 ZINC000159960612 524776988 /nfs/dbraw/zinc/77/69/88/524776988.db2.gz YOEUBPIWECNEIO-CGTJXYLNSA-N 1 0 361.486 1.067 20 70 FDIDRO CC(C)([NH3+])CNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC000160032067 524792472 /nfs/dbraw/zinc/79/24/72/524792472.db2.gz DDKLAJUFGUUKCG-UHFFFAOYSA-N 1 0 365.433 1.992 20 70 FDIDRO C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)NCCC[NH3+] ZINC000160032240 524793262 /nfs/dbraw/zinc/79/32/62/524793262.db2.gz DCRCNHHAWGYZNZ-IBGZPJMESA-N 1 0 358.442 1.231 20 70 FDIDRO CCC1(CC)[C@@H](NC(=O)NCCCC[NH+]2CCN(C)CC2)C[C@@H]1OC ZINC000160075733 524804009 /nfs/dbraw/zinc/80/40/09/524804009.db2.gz FAQHFFHSYSRJRV-IRXDYDNUSA-N 1 0 354.539 1.907 20 70 FDIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)NCC(=O)OC ZINC000160087644 524804832 /nfs/dbraw/zinc/80/48/32/524804832.db2.gz ZOFZICXJMDVSQR-HNNXBMFYSA-N 1 0 362.474 1.298 20 70 FDIDRO C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCCC2)C[NH+]1CCN(C)CC1 ZINC000160105961 524810761 /nfs/dbraw/zinc/81/07/61/524810761.db2.gz IXMXVKYZUNWGOC-OAHLLOKOSA-N 1 0 360.502 1.257 20 70 FDIDRO [NH3+]CC1(C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CCCC1 ZINC000160108370 524810918 /nfs/dbraw/zinc/81/09/18/524810918.db2.gz TWJYBAWBHUXEEK-UHFFFAOYSA-N 1 0 355.435 1.724 20 70 FDIDRO C[C@@H](CNC(=O)CCN1c2ccccc2CCC1=O)C[NH+]1CCN(C)CC1 ZINC000160106385 524811018 /nfs/dbraw/zinc/81/10/18/524811018.db2.gz SDIRHZGKDGMJRS-KRWDZBQOSA-N 1 0 372.513 1.356 20 70 FDIDRO CC(C)[C@H](CNC(=O)NC[C@H]1CCCS1(=O)=O)[NH+]1CCC(C)CC1 ZINC000160116169 524811987 /nfs/dbraw/zinc/81/19/87/524811987.db2.gz NBLIUSZXPQMGJA-CVEARBPZSA-N 1 0 359.536 1.619 20 70 FDIDRO COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160119555 524815108 /nfs/dbraw/zinc/81/51/08/524815108.db2.gz QXSXXZNFDZGLNR-BTMPVPSKSA-N 1 0 357.454 1.566 20 70 FDIDRO CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160129257 524816541 /nfs/dbraw/zinc/81/65/41/524816541.db2.gz SWNMZRPHNSLXRF-BBWFWOEESA-N 1 0 361.511 1.891 20 70 FDIDRO Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160171571 524825282 /nfs/dbraw/zinc/82/52/82/524825282.db2.gz WQMKWOYKGLYNLO-QGZVFWFLSA-N 1 0 350.507 1.661 20 70 FDIDRO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000160218597 524832460 /nfs/dbraw/zinc/83/24/60/524832460.db2.gz LKQGAYMYFIWSGA-NVXWUHKLSA-N 1 0 361.490 1.400 20 70 FDIDRO COC(=O)c1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160223097 524835390 /nfs/dbraw/zinc/83/53/90/524835390.db2.gz PPXQWQTXPBXORU-ROUUACIJSA-N 1 0 360.454 1.971 20 70 FDIDRO CN1CCC(=O)Nc2cc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)ccc21 ZINC000160263499 524844334 /nfs/dbraw/zinc/84/43/34/524844334.db2.gz CTVQHBBZFCUBSN-HNNXBMFYSA-N 1 0 360.458 1.042 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCC(=O)N2CCCCC2)CC[N@@H+]1CCOC ZINC000160327701 524859119 /nfs/dbraw/zinc/85/91/19/524859119.db2.gz RKPGKUUBRWHUDW-MRXNPFEDSA-N 1 0 354.495 1.141 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CC[NH+](C3CCCC3)CC2)c1CC ZINC000160352955 524865076 /nfs/dbraw/zinc/86/50/76/524865076.db2.gz OZRVEQWXBOTECJ-UHFFFAOYSA-N 1 0 361.490 1.665 20 70 FDIDRO O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000160391074 524875520 /nfs/dbraw/zinc/87/55/20/524875520.db2.gz OGLVAJXYZXOHTB-DLBZAZTESA-N 1 0 365.474 1.990 20 70 FDIDRO Cc1c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cnn1C1CCOCC1 ZINC000160408267 524880150 /nfs/dbraw/zinc/88/01/50/524880150.db2.gz XLVNBAAAKUPMSZ-KRWDZBQOSA-N 1 0 364.490 1.726 20 70 FDIDRO CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C[C@H]2CCC[NH2+]2)ccc1F ZINC000160467790 524895039 /nfs/dbraw/zinc/89/50/39/524895039.db2.gz AHELPLPTRWSRGK-LLVKDONJSA-N 1 0 357.451 1.983 20 70 FDIDRO Cc1nn(C)c(Cl)c1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160469428 524895737 /nfs/dbraw/zinc/89/57/37/524895737.db2.gz QQKGEXDOSBXLFQ-GJZGRUSLSA-N 1 0 362.861 1.747 20 70 FDIDRO COCc1nc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cs1 ZINC000160494963 524902724 /nfs/dbraw/zinc/90/27/24/524902724.db2.gz OILSWMIENAUIBB-LSDHHAIUSA-N 1 0 353.488 1.787 20 70 FDIDRO O=C(CC[C@H]1Cc2ccccc2NC1=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160524660 524907601 /nfs/dbraw/zinc/90/76/01/524907601.db2.gz SQHODWJISNHTSG-IRXDYDNUSA-N 1 0 359.470 1.541 20 70 FDIDRO COCCCOc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160534191 524910494 /nfs/dbraw/zinc/91/04/94/524910494.db2.gz GNMBBUDNKFHASF-QGZVFWFLSA-N 1 0 350.459 1.679 20 70 FDIDRO CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H]([NH2+]C)C2)c1 ZINC000160555394 524914436 /nfs/dbraw/zinc/91/44/36/524914436.db2.gz OHMTUBGOTVOMMC-CQSZACIVSA-N 1 0 353.488 1.459 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000160575592 524920254 /nfs/dbraw/zinc/92/02/54/524920254.db2.gz RODASLOKUMKSFB-MOPGFXCFSA-N 1 0 373.497 1.644 20 70 FDIDRO CC(=O)N1CSC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000160617785 524931570 /nfs/dbraw/zinc/93/15/70/524931570.db2.gz FGRRFUHIANJPAA-KRWDZBQOSA-N 1 0 365.474 1.828 20 70 FDIDRO CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160633725 524932757 /nfs/dbraw/zinc/93/27/57/524932757.db2.gz HGCITUKHIPYZRT-HOTGVXAUSA-N 1 0 353.507 1.377 20 70 FDIDRO CC(C)(C)C(=O)NCCC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160630884 524932913 /nfs/dbraw/zinc/93/29/13/524932913.db2.gz ZCBXXQUGZXURBK-IAGOWNOFSA-N 1 0 361.486 1.290 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000160656237 524939115 /nfs/dbraw/zinc/93/91/15/524939115.db2.gz FQRQPSJRCWEOIA-LLVKDONJSA-N 1 0 372.238 1.528 20 70 FDIDRO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160664511 524941333 /nfs/dbraw/zinc/94/13/33/524941333.db2.gz VCTVDUQQSFODCU-KSSFIOAISA-N 1 0 359.470 1.715 20 70 FDIDRO CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160706972 524952952 /nfs/dbraw/zinc/95/29/52/524952952.db2.gz ZQARBSXYDXQMPX-HZPDHXFCSA-N 1 0 350.438 1.614 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000160738002 524959733 /nfs/dbraw/zinc/95/97/33/524959733.db2.gz OCVYUJJBIGGSSK-MRXNPFEDSA-N 1 0 365.499 1.054 20 70 FDIDRO Cc1c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cccc1S(N)(=O)=O ZINC000160769193 524966514 /nfs/dbraw/zinc/96/65/14/524966514.db2.gz BVQQDULZSTUODV-HIFRSBDPSA-N 1 0 351.472 1.199 20 70 FDIDRO C[NH+]1CCN(CCNC(=O)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000160798887 524972481 /nfs/dbraw/zinc/97/24/81/524972481.db2.gz GXMRSDDLSAIRDT-UHFFFAOYSA-N 1 0 359.392 1.534 20 70 FDIDRO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CCC[NH+]2CCCCC2)C1 ZINC000160829051 524978455 /nfs/dbraw/zinc/97/84/55/524978455.db2.gz JMWUETVCMCZGTI-QGZVFWFLSA-N 1 0 353.507 1.596 20 70 FDIDRO Cc1onc(-c2ccccn2)c1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000160865293 524985705 /nfs/dbraw/zinc/98/57/05/524985705.db2.gz RVCTYEDCCFBXAW-CQSZACIVSA-N 1 0 371.441 1.362 20 70 FDIDRO CN(C(=O)c1cc(C(N)=O)c[nH]1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160874079 524987791 /nfs/dbraw/zinc/98/77/91/524987791.db2.gz ARXYXWBFBSWOGW-UHFFFAOYSA-N 1 0 356.426 1.865 20 70 FDIDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cc(C(=O)OC)cs2)CC1 ZINC000160896333 524992395 /nfs/dbraw/zinc/99/23/95/524992395.db2.gz VZAXUUPVGIXFBM-ZDUSSCGKSA-N 1 0 368.503 1.930 20 70 FDIDRO Cc1ccc2c(c1)[C@H](NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)CO2 ZINC000160906488 524993533 /nfs/dbraw/zinc/99/35/33/524993533.db2.gz DORAJBHOWVQBOT-QZTJIDSGSA-N 1 0 360.502 2.000 20 70 FDIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(Cc2ccncc2)CC1 ZINC000160906952 524994823 /nfs/dbraw/zinc/99/48/23/524994823.db2.gz BHRYWAKYWLBRCN-SFHVURJKSA-N 1 0 357.502 1.926 20 70 FDIDRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@@H]3CCn4ccnc4C3)cc21 ZINC000161002246 525013866 /nfs/dbraw/zinc/01/38/66/525013866.db2.gz WFXREVZITJYCCU-CYBMUJFWSA-N 1 0 369.425 1.554 20 70 FDIDRO C[N@H+](CCCO)C1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000161054734 525023736 /nfs/dbraw/zinc/02/37/36/525023736.db2.gz ALEAUUPPAVWGLG-BBWFWOEESA-N 1 0 351.491 1.432 20 70 FDIDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cc(C(=O)OC)cs3)C2)CC1 ZINC000161069407 525026495 /nfs/dbraw/zinc/02/64/95/525026495.db2.gz ZSUVCPZYOCVFPV-CQSZACIVSA-N 1 0 366.487 1.778 20 70 FDIDRO COc1ccc(CNC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1OC ZINC000161118309 525037245 /nfs/dbraw/zinc/03/72/45/525037245.db2.gz AQGFRIOUGRDJDR-OXQOHEQNSA-N 1 0 362.470 1.947 20 70 FDIDRO CC(=O)NC1CCC(Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000161144156 525044419 /nfs/dbraw/zinc/04/44/19/525044419.db2.gz QZEZDDKZHDUPFE-TVPLGVNVSA-N 1 0 358.486 1.996 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000161164134 525044902 /nfs/dbraw/zinc/04/49/02/525044902.db2.gz AVHUNYDFCCNEOY-LJQANCHMSA-N 1 0 356.426 1.116 20 70 FDIDRO COc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1N1CCNC1=O ZINC000161203603 525054493 /nfs/dbraw/zinc/05/44/93/525054493.db2.gz HJPRFOPKMHEECD-HIFRSBDPSA-N 1 0 360.458 1.683 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1nnn(-c2cccc3cccnc32)c1C ZINC000161232941 525061168 /nfs/dbraw/zinc/06/11/68/525061168.db2.gz JHYABOLDGDBQLO-OAHLLOKOSA-N 1 0 350.426 1.948 20 70 FDIDRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000161251071 525064613 /nfs/dbraw/zinc/06/46/13/525064613.db2.gz UCQDOOTVKYODBJ-DLBZAZTESA-N 1 0 359.470 1.575 20 70 FDIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000161290211 525074402 /nfs/dbraw/zinc/07/44/02/525074402.db2.gz PPYSGDKXIMRRIM-KRWDZBQOSA-N 1 0 363.502 1.336 20 70 FDIDRO CC[C@H](C(=O)Nc1cccc2c1CCN(S(=O)(=O)CC)C2)[NH+](C)C ZINC000161306329 525075972 /nfs/dbraw/zinc/07/59/72/525075972.db2.gz ZUBMOEKDFHLCKH-MRXNPFEDSA-N 1 0 353.488 1.673 20 70 FDIDRO C[C@@H]1C[C@@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C(=O)N1c1ccccc1 ZINC000161309691 525077988 /nfs/dbraw/zinc/07/79/88/525077988.db2.gz VFJSWCQPWLRYFB-CZUORRHYSA-N 1 0 368.441 1.126 20 70 FDIDRO C[N@@H+]1CCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)[C@H](c2ccccc2)C1 ZINC000161331570 525083522 /nfs/dbraw/zinc/08/35/22/525083522.db2.gz DHBVPUBWTZXPID-WMZOPIPTSA-N 1 0 351.516 1.647 20 70 FDIDRO O=C(CN1CCC([C@H](O)C(F)(F)F)CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000161330171 525083619 /nfs/dbraw/zinc/08/36/19/525083619.db2.gz ARYQKGZPTBMNKF-YOEHRIQHSA-N 1 0 372.387 1.742 20 70 FDIDRO Cc1cnn(Cc2cc(C(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)no2)c1 ZINC000161369009 525094601 /nfs/dbraw/zinc/09/46/01/525094601.db2.gz BRODZJWALVXTNU-HUUCEWRRSA-N 1 0 361.446 1.457 20 70 FDIDRO COc1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1Cl ZINC000161405858 525100569 /nfs/dbraw/zinc/10/05/69/525100569.db2.gz LACZEQBIWXZFOJ-UHFFFAOYSA-N 1 0 362.879 1.331 20 70 FDIDRO COc1ccccc1S(=O)(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000161424172 525104509 /nfs/dbraw/zinc/10/45/09/525104509.db2.gz LXWHWFPHTUHIBI-AWEZNQCLSA-N 1 0 356.488 1.409 20 70 FDIDRO CCc1cccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000161430276 525107487 /nfs/dbraw/zinc/10/74/87/525107487.db2.gz WRAXGRPWVUGSTN-OAHLLOKOSA-N 1 0 354.516 1.962 20 70 FDIDRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161452879 525112431 /nfs/dbraw/zinc/11/24/31/525112431.db2.gz MPLWZYZNGDGYBU-AWEZNQCLSA-N 1 0 367.874 1.058 20 70 FDIDRO C[NH+]1CCN(c2ccc(CNC(=O)NOCc3cccnc3)cn2)CC1 ZINC000161040101 258263459 /nfs/dbraw/zinc/26/34/59/258263459.db2.gz DNZJAPBMAQYYDZ-UHFFFAOYSA-N 1 0 356.430 1.159 20 70 FDIDRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159875633 173691180 /nfs/dbraw/zinc/69/11/80/173691180.db2.gz UYUXGAPFIVKWRS-KRWDZBQOSA-N 1 0 371.547 1.571 20 70 FDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000160133751 173700140 /nfs/dbraw/zinc/70/01/40/173700140.db2.gz CASBHFDVNOOZJC-OAHLLOKOSA-N 1 0 351.472 1.471 20 70 FDIDRO CCCOc1ccc(OCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160338218 173707788 /nfs/dbraw/zinc/70/77/88/173707788.db2.gz JLSVDBLAHLVHNK-MRXNPFEDSA-N 1 0 350.459 1.817 20 70 FDIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000160447379 173712159 /nfs/dbraw/zinc/71/21/59/173712159.db2.gz UVFJUVNOWHXRLR-MRXNPFEDSA-N 1 0 357.414 1.623 20 70 FDIDRO COC1(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)CC[NH2+]CC1 ZINC000160934641 173726072 /nfs/dbraw/zinc/72/60/72/173726072.db2.gz VBMGKJJCOBQIKM-AWEZNQCLSA-N 1 0 365.861 1.720 20 70 FDIDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CCCn2cccc2)cc1 ZINC000159431650 524667688 /nfs/dbraw/zinc/66/76/88/524667688.db2.gz XOHPZKFHSPZKJL-UHFFFAOYSA-N 1 0 356.470 1.876 20 70 FDIDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1OC ZINC000159434613 524670619 /nfs/dbraw/zinc/67/06/19/524670619.db2.gz ZNEQWOGJZUNEIW-OAHLLOKOSA-N 1 0 356.488 1.998 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1 ZINC000159560975 524697271 /nfs/dbraw/zinc/69/72/71/524697271.db2.gz NYNFQIUWPZOFGQ-IBGZPJMESA-N 1 0 360.502 1.797 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000159702121 524723410 /nfs/dbraw/zinc/72/34/10/524723410.db2.gz JZNBFNBJVNRKTN-UHFFFAOYSA-N 1 0 362.474 1.391 20 70 FDIDRO CN1C[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCC1=O ZINC000159754112 524733984 /nfs/dbraw/zinc/73/39/84/524733984.db2.gz JMNAQWXTUXTEBE-HNNXBMFYSA-N 1 0 368.547 1.658 20 70 FDIDRO Cc1cc(S(N)(=O)=O)cc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1C ZINC000159779434 524736361 /nfs/dbraw/zinc/73/63/61/524736361.db2.gz NWFSTEQBOSBWOX-CYBMUJFWSA-N 1 0 367.515 1.803 20 70 FDIDRO CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000159817882 524744708 /nfs/dbraw/zinc/74/47/08/524744708.db2.gz NTBQUPOHEWQXSK-LPHOPBHVSA-N 1 0 373.497 1.829 20 70 FDIDRO COc1cccc(CN(C)C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1OC ZINC000159847635 524751080 /nfs/dbraw/zinc/75/10/80/524751080.db2.gz KFNSHXQFHCNUJE-ZBFHGGJFSA-N 1 0 350.459 1.755 20 70 FDIDRO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000159936469 524770752 /nfs/dbraw/zinc/77/07/52/524770752.db2.gz NEWIRPNHQJBPQP-UKRRQHHQSA-N 1 0 365.440 1.564 20 70 FDIDRO CCC[N@H+](CCc1cn(CC(=O)OC)nn1)[C@H](C)C(=O)Nc1ccccc1 ZINC000159987539 524782509 /nfs/dbraw/zinc/78/25/09/524782509.db2.gz SEWVEOKHLFYYPN-OAHLLOKOSA-N 1 0 373.457 1.733 20 70 FDIDRO CC(C)[NH2+]CCC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000160010521 524787218 /nfs/dbraw/zinc/78/72/18/524787218.db2.gz PJRSHFLWIGQXNK-UHFFFAOYSA-N 1 0 373.441 1.189 20 70 FDIDRO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160006941 524787705 /nfs/dbraw/zinc/78/77/05/524787705.db2.gz JCJKKGFGHPFJGA-RGHULWKBSA-N 1 0 352.504 1.065 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000160030449 524791889 /nfs/dbraw/zinc/79/18/89/524791889.db2.gz BZENQPUIWVQKCE-RYUDHWBXSA-N 1 0 366.462 1.488 20 70 FDIDRO [NH3+]CCCNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000160049787 524795989 /nfs/dbraw/zinc/79/59/89/524795989.db2.gz RLFRJDWMBLVSMR-UHFFFAOYSA-N 1 0 353.488 1.259 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000160044881 524796134 /nfs/dbraw/zinc/79/61/34/524796134.db2.gz QRWBQRCAAAXILW-OALUTQOASA-N 1 0 373.497 1.502 20 70 FDIDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000160102429 524810794 /nfs/dbraw/zinc/81/07/94/524810794.db2.gz QKFNSOHMTJEQBR-JTQLQIEISA-N 1 0 368.235 1.363 20 70 FDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc(S(N)(=O)=O)s1 ZINC000160218779 524832993 /nfs/dbraw/zinc/83/29/93/524832993.db2.gz DEODZMYSSTVIGN-YPMHNXCESA-N 1 0 352.485 1.723 20 70 FDIDRO Cc1conc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000160248819 524840299 /nfs/dbraw/zinc/84/02/99/524840299.db2.gz USGMKCUKRYNJBK-UHFFFAOYSA-N 1 0 356.426 1.875 20 70 FDIDRO CCc1c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)[nH]c(C)c1C(N)=O ZINC000160270316 524845559 /nfs/dbraw/zinc/84/55/59/524845559.db2.gz VXZHVIOQXYRXGX-VXGBXAGGSA-N 1 0 350.463 1.214 20 70 FDIDRO C[NH+](C)CC1CCC(NC(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000160267543 524846362 /nfs/dbraw/zinc/84/63/62/524846362.db2.gz OITXRXUOIXRYTI-UHFFFAOYSA-N 1 0 372.466 1.715 20 70 FDIDRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](CC(N)=O)C2)C[N@@H+]1Cc1ccccc1 ZINC000160282692 524847522 /nfs/dbraw/zinc/84/75/22/524847522.db2.gz BPEALIVXUDPBNJ-NXHRZFHOSA-N 1 0 358.486 1.946 20 70 FDIDRO Cn1cnc2cc(C(=O)NC3CC[NH+](CCc4ccncc4)CC3)cnc21 ZINC000160306320 524855044 /nfs/dbraw/zinc/85/50/44/524855044.db2.gz NKSNHCMAUGHFBO-UHFFFAOYSA-N 1 0 364.453 1.800 20 70 FDIDRO O=C(CNC(=O)c1cccs1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160339293 524860981 /nfs/dbraw/zinc/86/09/81/524860981.db2.gz FDWWXJNKVXUXMS-GJZGRUSLSA-N 1 0 365.499 1.362 20 70 FDIDRO Cc1cccc(N2N=C(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)CCC2=O)c1 ZINC000160339818 524862774 /nfs/dbraw/zinc/86/27/74/524862774.db2.gz PBEPHAHHONXDEC-QGZVFWFLSA-N 1 0 372.469 1.441 20 70 FDIDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160354784 524866476 /nfs/dbraw/zinc/86/64/76/524866476.db2.gz LGLWWMJSHDKORU-IAGOWNOFSA-N 1 0 366.506 1.140 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 ZINC000160437300 524888920 /nfs/dbraw/zinc/88/89/20/524888920.db2.gz KYSIKGBGDPMUJZ-KRWDZBQOSA-N 1 0 372.469 1.096 20 70 FDIDRO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N(C)Cc1ccccc1 ZINC000160446317 524891161 /nfs/dbraw/zinc/89/11/61/524891161.db2.gz OBMXLDSXENGPME-UHFFFAOYSA-N 1 0 368.437 1.824 20 70 FDIDRO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160486673 524900721 /nfs/dbraw/zinc/90/07/21/524900721.db2.gz XLURBWOMTQOMAZ-IXDOHACOSA-N 1 0 358.421 1.257 20 70 FDIDRO CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160501828 524903377 /nfs/dbraw/zinc/90/33/77/524903377.db2.gz LUVVXULMNCRFHJ-QJBCGIKSSA-N 1 0 363.483 1.351 20 70 FDIDRO Cc1cc(C)n2nc(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)nc2n1 ZINC000160505556 524903617 /nfs/dbraw/zinc/90/36/17/524903617.db2.gz QKGASRMUBPLMDG-CVEARBPZSA-N 1 0 372.473 1.239 20 70 FDIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000160566606 524918424 /nfs/dbraw/zinc/91/84/24/524918424.db2.gz YWIZASVNQYVMLQ-VIFPVBQESA-N 1 0 353.366 1.387 20 70 FDIDRO CCc1cc(=O)[nH]c(CN2CCCN(Cc3nc(CC)cc(=O)[nH]3)CC2)n1 ZINC000160580650 524920483 /nfs/dbraw/zinc/92/04/83/524920483.db2.gz GJOGECZCQXVHGE-UHFFFAOYSA-N 1 0 372.473 1.511 20 70 FDIDRO CC(C)n1nc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc2c1=O ZINC000160581205 524920615 /nfs/dbraw/zinc/92/06/15/524920615.db2.gz DFXUSIZCZBKIPB-OAHLLOKOSA-N 1 0 372.469 1.554 20 70 FDIDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160582533 524920714 /nfs/dbraw/zinc/92/07/14/524920714.db2.gz JDDNGLAJVANUNP-SNVBAGLBSA-N 1 0 367.393 1.777 20 70 FDIDRO CC(C)n1nc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c2ccccc2c1=O ZINC000160581084 524921542 /nfs/dbraw/zinc/92/15/42/524921542.db2.gz DFXUSIZCZBKIPB-HNNXBMFYSA-N 1 0 372.469 1.554 20 70 FDIDRO CC(C)CC(=O)NCCC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000160611720 524929152 /nfs/dbraw/zinc/92/91/52/524929152.db2.gz VKJIHOPWOXFTKH-UHFFFAOYSA-N 1 0 374.529 1.603 20 70 FDIDRO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[NH+](C3CCCC3)CC1)CC2 ZINC000160624422 524932297 /nfs/dbraw/zinc/93/22/97/524932297.db2.gz FKUBZDSXRUARGL-CQSZACIVSA-N 1 0 362.478 1.009 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000160699267 524950328 /nfs/dbraw/zinc/95/03/28/524950328.db2.gz SXWCFPCMHHSRHA-GOSISDBHSA-N 1 0 359.518 1.887 20 70 FDIDRO C[C@H](C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000160717443 524955775 /nfs/dbraw/zinc/95/57/75/524955775.db2.gz KLEBCPJFHMDCDG-KSSFIOAISA-N 1 0 371.441 1.017 20 70 FDIDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CCn3ccnc3C2)cc1 ZINC000160757057 524965242 /nfs/dbraw/zinc/96/52/42/524965242.db2.gz OHETXBOFZFSUGY-AWEZNQCLSA-N 1 0 355.442 1.974 20 70 FDIDRO CC(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160847965 524980979 /nfs/dbraw/zinc/98/09/79/524980979.db2.gz NAXWMTMNHFVKQE-HZPDHXFCSA-N 1 0 350.507 1.950 20 70 FDIDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cc(C(=O)OC)cs2)CC1 ZINC000160896464 524992286 /nfs/dbraw/zinc/99/22/86/524992286.db2.gz VZAXUUPVGIXFBM-CYBMUJFWSA-N 1 0 368.503 1.930 20 70 FDIDRO Cc1conc1NC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000161022117 525019396 /nfs/dbraw/zinc/01/93/96/525019396.db2.gz HXKPNWLCSAHHNZ-UHFFFAOYSA-N 1 0 360.414 1.568 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CC1 ZINC000161085617 525030514 /nfs/dbraw/zinc/03/05/14/525030514.db2.gz UMLQAIDXSRTXKL-UHFFFAOYSA-N 1 0 350.507 1.762 20 70 FDIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000161098013 525033244 /nfs/dbraw/zinc/03/32/44/525033244.db2.gz ISDRGGBBLVMMPC-RDJZCZTQSA-N 1 0 372.473 1.738 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2C(=O)[C@H]2CCCO2)CC1 ZINC000161106640 525035217 /nfs/dbraw/zinc/03/52/17/525035217.db2.gz YJIKXBPDKXKSCM-IAGOWNOFSA-N 1 0 351.491 1.395 20 70 FDIDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3oc(N(C)C)nc3c2)CC1 ZINC000161281356 525073276 /nfs/dbraw/zinc/07/32/76/525073276.db2.gz IKXQDYVMZLNBHS-UHFFFAOYSA-N 1 0 373.457 1.823 20 70 FDIDRO COC(=O)c1ccc(NC(=O)CN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161299153 525074289 /nfs/dbraw/zinc/07/42/89/525074289.db2.gz BPPGFYDNUFUGOS-UHFFFAOYSA-N 1 0 354.410 1.629 20 70 FDIDRO CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000161292072 525074366 /nfs/dbraw/zinc/07/43/66/525074366.db2.gz LIOFCMSOMXJYMF-MRXNPFEDSA-N 1 0 360.458 1.005 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000161300713 525076605 /nfs/dbraw/zinc/07/66/05/525076605.db2.gz XTWGGPYNKTXNOH-NSHDSACASA-N 1 0 359.879 1.414 20 70 FDIDRO O=C(CN1CCC([C@H](O)C(F)(F)F)CC1)NC[C@H]1Cc2ccccc2O1 ZINC000161330073 525082072 /nfs/dbraw/zinc/08/20/72/525082072.db2.gz ARYQKGZPTBMNKF-PBHICJAKSA-N 1 0 372.387 1.742 20 70 FDIDRO COc1cc(Cl)c(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1Cl ZINC000161414906 525104710 /nfs/dbraw/zinc/10/47/10/525104710.db2.gz DQTGBBQXPVAQTO-CYBMUJFWSA-N 1 0 371.286 1.593 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000161420396 525105499 /nfs/dbraw/zinc/10/54/99/525105499.db2.gz YPTCBJQATFTULD-GFCCVEGCSA-N 1 0 356.366 1.176 20 70 FDIDRO Cc1ccc(F)c(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000161458219 525111827 /nfs/dbraw/zinc/11/18/27/525111827.db2.gz BCFNIPUHLPTRAG-CQSZACIVSA-N 1 0 358.479 1.847 20 70 FDIDRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000161452468 525111900 /nfs/dbraw/zinc/11/19/00/525111900.db2.gz AGAYNJRZEADCHP-HNNXBMFYSA-N 1 0 361.552 1.520 20 70 FDIDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)CC1 ZINC000161044297 258263280 /nfs/dbraw/zinc/26/32/80/258263280.db2.gz PIUUZWBTKOKQRX-XDNAFOTISA-N 1 0 362.518 1.365 20 70 FDIDRO CC(C)[C@@H](CNC(=O)c1ccnc2c(C(N)=O)cnn21)[NH+]1CCC(C)CC1 ZINC000160007478 173695099 /nfs/dbraw/zinc/69/50/99/173695099.db2.gz LKBWNZDTNRKMBA-MRXNPFEDSA-N 1 0 372.473 1.315 20 70 FDIDRO O=C(Cn1ncc2ccccc21)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160362615 173708342 /nfs/dbraw/zinc/70/83/42/173708342.db2.gz WBUZZWJRYIHKOY-RBUKOAKNSA-N 1 0 356.470 1.920 20 70 FDIDRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161404865 173740084 /nfs/dbraw/zinc/74/00/84/173740084.db2.gz SDRQHUVMJPOVDB-HUUCEWRRSA-N 1 0 353.488 1.249 20 70 FDIDRO Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1C ZINC000159374731 524656289 /nfs/dbraw/zinc/65/62/89/524656289.db2.gz SQCRXIBNDXGONE-SFHVURJKSA-N 1 0 365.499 1.184 20 70 FDIDRO Cc1cccc(CNC(=O)CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159391688 524659716 /nfs/dbraw/zinc/65/97/16/524659716.db2.gz HYPVLUGPQHVGIP-GOSISDBHSA-N 1 0 358.486 1.025 20 70 FDIDRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)ccc1C(N)=O ZINC000159437216 524669589 /nfs/dbraw/zinc/66/95/89/524669589.db2.gz MGGLUVSYCIIONW-CQSZACIVSA-N 1 0 360.458 1.127 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000159526091 524691267 /nfs/dbraw/zinc/69/12/67/524691267.db2.gz IMKSGJLLYCXDDF-IBGZPJMESA-N 1 0 360.502 1.625 20 70 FDIDRO Cc1occc1C(=O)NCC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000159566492 524697791 /nfs/dbraw/zinc/69/77/91/524697791.db2.gz VDVJWXSXXYGSOU-INIZCTEOSA-N 1 0 363.458 1.421 20 70 FDIDRO C[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C[C@@H]1CCC[C@@H]1O ZINC000159604562 524706364 /nfs/dbraw/zinc/70/63/64/524706364.db2.gz WGQWZTZRUTXBLZ-HKUYNNGSSA-N 1 0 373.497 1.957 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1CC ZINC000159669926 524717680 /nfs/dbraw/zinc/71/76/80/524717680.db2.gz MCRUKYKUKSTRPD-LBPRGKRZSA-N 1 0 351.495 1.670 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCCc2cc(F)cc3c2OCOC3)CC1 ZINC000159684571 524720351 /nfs/dbraw/zinc/72/03/51/524720351.db2.gz KXRYBMNKPDWQCY-UHFFFAOYSA-N 1 0 351.422 1.972 20 70 FDIDRO CS[C@H](CO)[C@H](C)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159726097 524727262 /nfs/dbraw/zinc/72/72/62/524727262.db2.gz JCSFHFSCTKFYAA-YQFWSFKMSA-N 1 0 351.516 1.919 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1F ZINC000159787592 524739121 /nfs/dbraw/zinc/73/91/21/524739121.db2.gz ASRUFCMPWMZYOV-UHFFFAOYSA-N 1 0 369.462 1.338 20 70 FDIDRO CC[C@H](NC(=O)N1CCC[N@H+](CC)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000159821927 524744540 /nfs/dbraw/zinc/74/45/40/524744540.db2.gz GTOMDXNGKSSOOC-INIZCTEOSA-N 1 0 368.503 1.522 20 70 FDIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000159836588 524749229 /nfs/dbraw/zinc/74/92/29/524749229.db2.gz KCXSSIIKMYTUKK-OAHLLOKOSA-N 1 0 368.428 1.676 20 70 FDIDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)cc1 ZINC000159868270 524758504 /nfs/dbraw/zinc/75/85/04/524758504.db2.gz DZLCQOCGOJCZCR-CHWSQXEVSA-N 1 0 371.441 1.501 20 70 FDIDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159895413 524762902 /nfs/dbraw/zinc/76/29/02/524762902.db2.gz FYFQNVDPGZRQQL-GUYCJALGSA-N 1 0 351.414 1.457 20 70 FDIDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)NCCN1C(=O)CCC1=O ZINC000159921661 524769025 /nfs/dbraw/zinc/76/90/25/524769025.db2.gz XRFKABLOYNYVQX-UHFFFAOYSA-N 1 0 352.479 1.289 20 70 FDIDRO Cn1cnnc1CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000159944875 524773250 /nfs/dbraw/zinc/77/32/50/524773250.db2.gz QERYEXHLRLWOES-INIZCTEOSA-N 1 0 367.375 1.886 20 70 FDIDRO COc1ccc([C@H](CNC(=O)C(=O)Nc2nocc2C)[NH+]2CCCC2)cc1 ZINC000160003442 524786321 /nfs/dbraw/zinc/78/63/21/524786321.db2.gz ZHHSNCVTWFDWJW-INIZCTEOSA-N 1 0 372.425 1.883 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160038112 524793645 /nfs/dbraw/zinc/79/36/45/524793645.db2.gz WWAUQDBIYOLRBN-TXEJJXNPSA-N 1 0 352.435 1.099 20 70 FDIDRO CC[NH+]1CCN([C@H]2CCN([C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000160051806 524796567 /nfs/dbraw/zinc/79/65/67/524796567.db2.gz GHQHGOVHHPUSLQ-LSDHHAIUSA-N 1 0 362.440 1.252 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(-n2ccnn2)c1 ZINC000160063010 524800700 /nfs/dbraw/zinc/80/07/00/524800700.db2.gz OAWHBENYWFXSMZ-OALUTQOASA-N 1 0 369.469 1.765 20 70 FDIDRO C[NH+](C)C[C@H](O)COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000160108571 524810007 /nfs/dbraw/zinc/81/00/07/524810007.db2.gz PWSJYCLOCSEYJT-HNNXBMFYSA-N 1 0 368.430 1.928 20 70 FDIDRO CC[C@@H](CNC(=O)C(=O)Nc1nocc1C)[N@@H+]1CCc2ccccc2C1 ZINC000160171417 524823953 /nfs/dbraw/zinc/82/39/53/524823953.db2.gz WJBKWWIRQVUDLV-INIZCTEOSA-N 1 0 356.426 1.875 20 70 FDIDRO NC(=O)Nc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160184619 524826152 /nfs/dbraw/zinc/82/61/52/524826152.db2.gz DIOARAUZXTXYIB-SJORKVTESA-N 1 0 360.458 1.675 20 70 FDIDRO O=C(CCc1cnn(-c2ccccc2)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160221435 524834494 /nfs/dbraw/zinc/83/44/94/524834494.db2.gz KVVYDMUSVDIHBC-IBGZPJMESA-N 1 0 356.470 1.768 20 70 FDIDRO COC(=O)c1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160222958 524834647 /nfs/dbraw/zinc/83/46/47/524834647.db2.gz PPXQWQTXPBXORU-MSOLQXFVSA-N 1 0 360.454 1.971 20 70 FDIDRO Cc1ccc(N2CC[C@@H](C(=O)NC[C@H](O)C[NH+]3CCCCC3)C2=O)cc1C ZINC000160237217 524838448 /nfs/dbraw/zinc/83/84/48/524838448.db2.gz XLBSZNIKFIISQO-OALUTQOASA-N 1 0 373.497 1.619 20 70 FDIDRO Cc1ccc(N2CC[C@H](C(=O)NC[C@H](O)C[NH+]3CCCCC3)C2=O)cc1C ZINC000160237092 524838726 /nfs/dbraw/zinc/83/87/26/524838726.db2.gz XLBSZNIKFIISQO-RBUKOAKNSA-N 1 0 373.497 1.619 20 70 FDIDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160311447 524855549 /nfs/dbraw/zinc/85/55/49/524855549.db2.gz LJBQPCLAJNKYJH-CRAIPNDOSA-N 1 0 362.474 1.612 20 70 FDIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000160312883 524856227 /nfs/dbraw/zinc/85/62/27/524856227.db2.gz BJSCCRAJRRJFBY-GOSISDBHSA-N 1 0 367.534 1.447 20 70 FDIDRO Cc1cnccc1CCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000160333574 524861341 /nfs/dbraw/zinc/86/13/41/524861341.db2.gz HWAJQUIALHWBMO-UHFFFAOYSA-N 1 0 359.518 1.790 20 70 FDIDRO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCC[C@H]1C[NH3+] ZINC000160368353 524869387 /nfs/dbraw/zinc/86/93/87/524869387.db2.gz VXIIAOOLPNFARR-NSHDSACASA-N 1 0 370.379 1.642 20 70 FDIDRO C[NH+](C)[C@@H](CNC(=O)c1ccnc2c(C(N)=O)cnn21)C1CCCCC1 ZINC000160400607 524878454 /nfs/dbraw/zinc/87/84/54/524878454.db2.gz LIOZUNYYPOCIMG-HNNXBMFYSA-N 1 0 358.446 1.069 20 70 FDIDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000160420179 524884070 /nfs/dbraw/zinc/88/40/70/524884070.db2.gz LEUUKIDDDOSKQR-JTQLQIEISA-N 1 0 357.252 1.629 20 70 FDIDRO O=C(Cc1csc(-c2ccccn2)n1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160426611 524885652 /nfs/dbraw/zinc/88/56/52/524885652.db2.gz RCQMTDMAPZJRTK-HNNXBMFYSA-N 1 0 360.483 1.711 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(CN2CCCC2=O)cc1 ZINC000160431189 524888285 /nfs/dbraw/zinc/88/82/85/524888285.db2.gz QQVXOVNLOHBPSN-GOSISDBHSA-N 1 0 359.470 1.386 20 70 FDIDRO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NC[C@@H](C1CC1)[NH+](C)C)C2=O ZINC000160450697 524891260 /nfs/dbraw/zinc/89/12/60/524891260.db2.gz KRAYCLVUXGLVTH-NFAWXSAZSA-N 1 0 364.490 1.190 20 70 FDIDRO CN1C(=O)C[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)[C@H]1c1cccs1 ZINC000160503199 524904391 /nfs/dbraw/zinc/90/43/91/524904391.db2.gz LLQGLAPBKKXHBR-ZQIUZPCESA-N 1 0 365.499 1.231 20 70 FDIDRO Cc1ccc(S(N)(=O)=O)c(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000160596359 524926186 /nfs/dbraw/zinc/92/61/86/524926186.db2.gz AOACHUXGDRJUCF-HNNXBMFYSA-N 1 0 367.515 1.884 20 70 FDIDRO Cc1sc(=O)n(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1C ZINC000160611363 524928754 /nfs/dbraw/zinc/92/87/54/524928754.db2.gz FKCQZDSOZDUJHO-CVEARBPZSA-N 1 0 367.515 1.411 20 70 FDIDRO COc1ccc(C)cc1-n1ccc(C(=O)NCC2CC[NH+](CCO)CC2)n1 ZINC000160635634 524935512 /nfs/dbraw/zinc/93/55/12/524935512.db2.gz HKHWFAQQSHZOOR-UHFFFAOYSA-N 1 0 372.469 1.623 20 70 FDIDRO CCNS(=O)(=O)c1ccc(CNC(=O)NCC[NH+](CC)CC)cc1 ZINC000160635723 524936705 /nfs/dbraw/zinc/93/67/05/524936705.db2.gz MPVMSWCLLYNMQT-UHFFFAOYSA-N 1 0 356.492 1.126 20 70 FDIDRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC2(C1)OCCO2 ZINC000160668235 524942272 /nfs/dbraw/zinc/94/22/72/524942272.db2.gz ZHQLMMNUYVWNJR-SJLPKXTDSA-N 1 0 359.470 1.214 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)C1 ZINC000160797057 524972957 /nfs/dbraw/zinc/97/29/57/524972957.db2.gz NRKVZJPLJWJFLL-QGZVFWFLSA-N 1 0 359.470 1.514 20 70 FDIDRO Cc1onc(-c2ccncc2)c1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000160862472 524986815 /nfs/dbraw/zinc/98/68/15/524986815.db2.gz ZDPTZACQRYSNKJ-OAHLLOKOSA-N 1 0 371.441 1.362 20 70 FDIDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C1(NC(N)=O)CC1 ZINC000161066857 525026614 /nfs/dbraw/zinc/02/66/14/525026614.db2.gz NYRTVWURKPQDRA-INIZCTEOSA-N 1 0 358.486 1.777 20 70 FDIDRO C[NH+](C)[C@@H](CNC(=O)CCCNC(=O)c1cccnc1)Cc1ccccc1 ZINC000161100592 525033528 /nfs/dbraw/zinc/03/35/28/525033528.db2.gz XHSLURDPTBMJIQ-LJQANCHMSA-N 1 0 368.481 1.881 20 70 FDIDRO C[C@]1(c2cccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c2)NC(=O)NC1=O ZINC000161136180 525042345 /nfs/dbraw/zinc/04/23/45/525042345.db2.gz CRZMFGPMJDIMLC-HXUWFJFHSA-N 1 0 372.469 1.780 20 70 FDIDRO Cc1c(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cnn1-c1ccccc1F ZINC000161189021 525050093 /nfs/dbraw/zinc/05/00/93/525050093.db2.gz BELSRHDDCDPPPH-AWEZNQCLSA-N 1 0 373.432 1.668 20 70 FDIDRO CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000161256979 525066629 /nfs/dbraw/zinc/06/66/29/525066629.db2.gz IXPDUCLKGZQPCE-CRAIPNDOSA-N 1 0 361.486 1.670 20 70 FDIDRO C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC[NH2+]C1 ZINC000161289498 525072824 /nfs/dbraw/zinc/07/28/24/525072824.db2.gz DCEAEQDPAWQINQ-KDOFPFPSSA-N 1 0 367.396 1.899 20 70 FDIDRO COc1cccc([C@@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)[NH+](C)C)c1 ZINC000161301048 525075732 /nfs/dbraw/zinc/07/57/32/525075732.db2.gz DERRYZUKPNULBC-MRXNPFEDSA-N 1 0 358.442 1.438 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000161336232 525085526 /nfs/dbraw/zinc/08/55/26/525085526.db2.gz UEGBZFPVQCIDMM-OAHLLOKOSA-N 1 0 351.472 1.199 20 70 FDIDRO CC1(C)NC(=O)N(CCC[NH+]2CCC([C@H](O)C(F)(F)F)CC2)C1=O ZINC000161348597 525086955 /nfs/dbraw/zinc/08/69/55/525086955.db2.gz UBVVSXZNLJTCJT-NSHDSACASA-N 1 0 351.369 1.342 20 70 FDIDRO CCCC(O)(CCC)CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000161386746 525097456 /nfs/dbraw/zinc/09/74/56/525097456.db2.gz JJHDJWWZQYAFHY-UHFFFAOYSA-N 1 0 353.507 1.474 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 ZINC000161386144 525097756 /nfs/dbraw/zinc/09/77/56/525097756.db2.gz NDBREDHJXZYKIH-NEPJUHHUSA-N 1 0 363.487 1.272 20 70 FDIDRO COCCOc1cccc(CC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000161404738 525100500 /nfs/dbraw/zinc/10/05/00/525100500.db2.gz SDQKASJGJUZUCD-IAGOWNOFSA-N 1 0 364.486 1.870 20 70 FDIDRO Cc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c(F)c1 ZINC000161458787 525112194 /nfs/dbraw/zinc/11/21/94/525112194.db2.gz LCNBYGRKVUCZIG-CQSZACIVSA-N 1 0 358.479 1.847 20 70 FDIDRO COc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000161474327 525116641 /nfs/dbraw/zinc/11/66/41/525116641.db2.gz UKFSPHVHPWTBOO-OAHLLOKOSA-N 1 0 370.515 1.717 20 70 FDIDRO CC(C)c1nn(C)c(Cl)c1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000160265325 173705274 /nfs/dbraw/zinc/70/52/74/173705274.db2.gz GGCGMYJKIQUNHI-UHFFFAOYSA-N 1 0 355.870 1.043 20 70 FDIDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@](C)(O)C3)cn2)CC1 ZINC000160265484 173705301 /nfs/dbraw/zinc/70/53/01/173705301.db2.gz WAKYYNDQCADXAP-IBGZPJMESA-N 1 0 361.490 1.280 20 70 FDIDRO CCOC(=O)c1c(C)oc2nc(CN3CC[C@H]([NH+]4CCCC4)C3)nc(N)c21 ZINC000160852360 173723590 /nfs/dbraw/zinc/72/35/90/173723590.db2.gz MUEHYKLZCJYAOO-ZDUSSCGKSA-N 1 0 373.457 1.960 20 70 FDIDRO Cc1cccc(-n2cc(C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nn2)c1 ZINC000159394334 524660494 /nfs/dbraw/zinc/66/04/94/524660494.db2.gz BXSRYCZJOUSDBW-IYBDPMFKSA-N 1 0 357.458 1.805 20 70 FDIDRO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159417130 524666726 /nfs/dbraw/zinc/66/67/26/524666726.db2.gz VPTSTJIKYWDAHP-VQIMIIECSA-N 1 0 372.513 1.448 20 70 FDIDRO CNC(=O)c1cccc(OCC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000159443067 524670527 /nfs/dbraw/zinc/67/05/27/524670527.db2.gz NXMUCJWESWBKHT-BZUAXINKSA-N 1 0 361.486 1.908 20 70 FDIDRO CCc1nn(C)c(CC)c1C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000159471396 524679411 /nfs/dbraw/zinc/67/94/11/524679411.db2.gz FZBNCYGPZKVQHT-CQSZACIVSA-N 1 0 356.536 1.839 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccccc2CN2CCOCC2)CC1 ZINC000159551825 524696231 /nfs/dbraw/zinc/69/62/31/524696231.db2.gz OXPHIMUCFWEJMU-UHFFFAOYSA-N 1 0 360.502 1.756 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000159587229 524702462 /nfs/dbraw/zinc/70/24/62/524702462.db2.gz BREWQRCTIUDPPV-UHFFFAOYSA-N 1 0 352.866 1.807 20 70 FDIDRO Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000159579664 524702564 /nfs/dbraw/zinc/70/25/64/524702564.db2.gz GMGDQIWOXBPNQR-OAHLLOKOSA-N 1 0 367.515 1.883 20 70 FDIDRO CN(CCCN1CC[NH+](C)CC1)C(=O)CCN1c2ccccc2CCC1=O ZINC000159686915 524721861 /nfs/dbraw/zinc/72/18/61/524721861.db2.gz DDTMNTPQTHDXLU-UHFFFAOYSA-N 1 0 372.513 1.452 20 70 FDIDRO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C[C@H]1CCC[C@@H]1O ZINC000159729550 524730055 /nfs/dbraw/zinc/73/00/55/524730055.db2.gz WJZACNKFXAJKPV-ABAIWWIYSA-N 1 0 353.850 1.860 20 70 FDIDRO O=C([C@@H]1CCCC[NH2+]1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159794710 524738380 /nfs/dbraw/zinc/73/83/80/524738380.db2.gz ATAJZMJSVHFLFS-ZWKOTPCHSA-N 1 0 356.470 1.078 20 70 FDIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000159808841 524742813 /nfs/dbraw/zinc/74/28/13/524742813.db2.gz OBCOCCCBOFKYKW-GFCCVEGCSA-N 1 0 352.401 1.521 20 70 FDIDRO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000159815274 524745362 /nfs/dbraw/zinc/74/53/62/524745362.db2.gz BWCYKWHAWHKFSL-CQSZACIVSA-N 1 0 369.897 1.533 20 70 FDIDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3cnn(C)c3C)cn2)CC1 ZINC000159850840 524753712 /nfs/dbraw/zinc/75/37/12/524753712.db2.gz VQVRNEBVMFNGFV-UHFFFAOYSA-N 1 0 371.489 1.265 20 70 FDIDRO Cn1cc(C(=O)NCC2CC[NH+](Cc3cnc4ccccn34)CC2)cn1 ZINC000159854704 524753860 /nfs/dbraw/zinc/75/38/60/524753860.db2.gz UJAFOUZBDDWKSP-UHFFFAOYSA-N 1 0 352.442 1.710 20 70 FDIDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159864417 524756381 /nfs/dbraw/zinc/75/63/81/524756381.db2.gz UZCCBBRMMILRPC-PBHICJAKSA-N 1 0 365.441 1.847 20 70 FDIDRO Cn1nc2c(cc1=O)CN(Cc1nc3cc(Br)ccc3[nH]1)CC2 ZINC000159912058 524766407 /nfs/dbraw/zinc/76/64/07/524766407.db2.gz KKCWIUQCEYDZSX-UHFFFAOYSA-N 1 0 374.242 1.977 20 70 FDIDRO COCCN(C)S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160012074 524790448 /nfs/dbraw/zinc/79/04/48/524790448.db2.gz OONCQGYRSMLMSS-SJLPKXTDSA-N 1 0 369.531 1.794 20 70 FDIDRO Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@H](CNc4ccccn4)C3)C2=O)cn1 ZINC000160087928 524805621 /nfs/dbraw/zinc/80/56/21/524805621.db2.gz IMIZRWJNAVQOJG-WBVHZDCISA-N 1 0 354.458 1.745 20 70 FDIDRO Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000160109574 524810398 /nfs/dbraw/zinc/81/03/98/524810398.db2.gz HHDJTEBETFNUMF-ZDUSSCGKSA-N 1 0 359.474 1.975 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000160103040 524810505 /nfs/dbraw/zinc/81/05/05/524810505.db2.gz FOUOCWAIAMXKOW-IEBWSBKVSA-N 1 0 362.470 1.821 20 70 FDIDRO O=C(COc1cccc(Br)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160131494 524815869 /nfs/dbraw/zinc/81/58/69/524815869.db2.gz RRFAMINFNCPYLE-AWEZNQCLSA-N 1 0 371.275 1.791 20 70 FDIDRO Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)cccc1S(N)(=O)=O ZINC000160164695 524823059 /nfs/dbraw/zinc/82/30/59/524823059.db2.gz ADZNQQZUCOGFNI-UHFFFAOYSA-N 1 0 365.499 1.733 20 70 FDIDRO [NH3+][C@@H]1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000160182661 524824897 /nfs/dbraw/zinc/82/48/97/524824897.db2.gz XZHDWQGOSQPJAU-MRXNPFEDSA-N 1 0 365.499 1.184 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H]([NH3+])C3)CC2)cc1C ZINC000160219275 524833323 /nfs/dbraw/zinc/83/33/23/524833323.db2.gz DDMXHDPRANORME-MRXNPFEDSA-N 1 0 365.499 1.264 20 70 FDIDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC[C@@](C)(O)C3)cc2)CC1 ZINC000160266036 524845397 /nfs/dbraw/zinc/84/53/97/524845397.db2.gz ZTZHMRAFDHIXSX-OAQYLSRUSA-N 1 0 374.529 1.881 20 70 FDIDRO CCCCS(=O)(=O)N1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000160284843 524849342 /nfs/dbraw/zinc/84/93/42/524849342.db2.gz CPPBBBFDLFOXJQ-IYBDPMFKSA-N 1 0 357.520 1.181 20 70 FDIDRO COCC[NH+]1CCC(NC(=O)c2cccc(OCc3noc(C)n3)c2)CC1 ZINC000160300827 524854098 /nfs/dbraw/zinc/85/40/98/524854098.db2.gz WPJZVIPCNGUGAU-UHFFFAOYSA-N 1 0 374.441 1.798 20 70 FDIDRO CC(C)NC(=O)c1ccc(C(=O)NCCCC[NH+]2CCN(C)CC2)cc1 ZINC000160303440 524854887 /nfs/dbraw/zinc/85/48/87/524854887.db2.gz MDNQDCXOAHNVFK-UHFFFAOYSA-N 1 0 360.502 1.582 20 70 FDIDRO C[C@@H](C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000160380028 524873782 /nfs/dbraw/zinc/87/37/82/524873782.db2.gz DBTICWZHHAEUOA-GOSISDBHSA-N 1 0 359.514 1.983 20 70 FDIDRO CCS(=O)(=O)c1cccc(CC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000160415463 524883478 /nfs/dbraw/zinc/88/34/78/524883478.db2.gz IRXVROBVPMYFFV-WMLDXEAASA-N 1 0 352.500 1.821 20 70 FDIDRO COc1ccccc1OCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160453957 524893264 /nfs/dbraw/zinc/89/32/64/524893264.db2.gz DOEXBZDWXDZAIO-DLBZAZTESA-N 1 0 362.470 1.958 20 70 FDIDRO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160486569 524901028 /nfs/dbraw/zinc/90/10/28/524901028.db2.gz XLURBWOMTQOMAZ-BBWFWOEESA-N 1 0 358.421 1.257 20 70 FDIDRO C[NH+](C)CCC1CCN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000160496905 524902770 /nfs/dbraw/zinc/90/27/70/524902770.db2.gz CTXQZYXLWRVCAA-HXUWFJFHSA-N 1 0 372.469 1.545 20 70 FDIDRO CN(C)C(=O)c1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160515751 524906667 /nfs/dbraw/zinc/90/66/67/524906667.db2.gz OLXHVAFVWDADCJ-OALUTQOASA-N 1 0 373.497 1.886 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccnc(-n2cccn2)c1 ZINC000160519418 524908883 /nfs/dbraw/zinc/90/88/83/524908883.db2.gz GMXVRYBTSJZWJI-ZWKOTPCHSA-N 1 0 369.469 1.765 20 70 FDIDRO COc1ccc(OC)c(CCC(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160551225 524913926 /nfs/dbraw/zinc/91/39/26/524913926.db2.gz ODKDMPYTNIECIC-UHFFFAOYSA-N 1 0 350.459 1.457 20 70 FDIDRO CCCC[C@H](NC(N)=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160554936 524914264 /nfs/dbraw/zinc/91/42/64/524914264.db2.gz HJUAUNMXKSUVIF-JYJNAYRXSA-N 1 0 354.495 1.098 20 70 FDIDRO Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000160612134 524929617 /nfs/dbraw/zinc/92/96/17/524929617.db2.gz WZVMZLIHTIAFLZ-ZDUSSCGKSA-N 1 0 359.474 1.832 20 70 FDIDRO COc1cc(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc(OC)c1 ZINC000160620472 524930624 /nfs/dbraw/zinc/93/06/24/524930624.db2.gz BQHMGYIFQFJTJD-INIZCTEOSA-N 1 0 350.459 1.599 20 70 FDIDRO O=C(Cc1ccccc1Br)NCC1CC[NH+](CCO)CC1 ZINC000160657481 524939664 /nfs/dbraw/zinc/93/96/64/524939664.db2.gz YBPKXNXTIPUBBG-UHFFFAOYSA-N 1 0 355.276 1.812 20 70 FDIDRO O=C(c1cccc(-n2ccnn2)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000160699842 524951829 /nfs/dbraw/zinc/95/18/29/524951829.db2.gz WDTVTSSSNLKBEV-UHFFFAOYSA-N 1 0 354.458 1.121 20 70 FDIDRO CCN(C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160722515 524955431 /nfs/dbraw/zinc/95/54/31/524955431.db2.gz BJHIHMQRWGLIHB-OKZBNKHCSA-N 1 0 374.485 1.325 20 70 FDIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000160730339 524958607 /nfs/dbraw/zinc/95/86/07/524958607.db2.gz YEKJVVXDNNBNCJ-MSOLQXFVSA-N 1 0 356.470 1.744 20 70 FDIDRO Cc1cc(C)c(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(=O)[nH]1 ZINC000160781157 524967739 /nfs/dbraw/zinc/96/77/39/524967739.db2.gz IZIYCLLBSOLTKH-IAGOWNOFSA-N 1 0 355.438 1.357 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)C1 ZINC000160775402 524968764 /nfs/dbraw/zinc/96/87/64/524968764.db2.gz DSGZCNBPMAWKJF-LLVKDONJSA-N 1 0 370.379 1.513 20 70 FDIDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 ZINC000160816681 524976655 /nfs/dbraw/zinc/97/66/55/524976655.db2.gz JEOUGHCEPYTIBD-ZDUSSCGKSA-N 1 0 369.487 1.619 20 70 FDIDRO COC[C@@H](O)CCNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000160911626 524993859 /nfs/dbraw/zinc/99/38/59/524993859.db2.gz PZGOHOHJKGWBDN-RDJZCZTQSA-N 1 0 374.403 1.955 20 70 FDIDRO Cc1ccc2c(c1)[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)CO2 ZINC000160906225 524995091 /nfs/dbraw/zinc/99/50/91/524995091.db2.gz DORAJBHOWVQBOT-MSOLQXFVSA-N 1 0 360.502 2.000 20 70 FDIDRO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000160945373 525002624 /nfs/dbraw/zinc/00/26/24/525002624.db2.gz LBYYYVMNCLFQMZ-ARFHVFGLSA-N 1 0 361.486 1.892 20 70 FDIDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccnc1 ZINC000160957028 525004493 /nfs/dbraw/zinc/00/44/93/525004493.db2.gz YBJLAFHPRBCCND-KRWDZBQOSA-N 1 0 355.442 1.492 20 70 FDIDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1F ZINC000160973269 525007564 /nfs/dbraw/zinc/00/75/64/525007564.db2.gz YUCBJIOTNCEAOF-LBPRGKRZSA-N 1 0 359.401 1.900 20 70 FDIDRO COc1ccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cc1N ZINC000161010801 525016400 /nfs/dbraw/zinc/01/64/00/525016400.db2.gz QDCROGFOPKZWCQ-UHFFFAOYSA-N 1 0 355.442 1.823 20 70 FDIDRO COc1ccc(CNC(=O)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000161015885 525017424 /nfs/dbraw/zinc/01/74/24/525017424.db2.gz ZZSILDPLOYEAEU-UHFFFAOYSA-N 1 0 371.437 1.799 20 70 FDIDRO Cc1conc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000161025984 525018333 /nfs/dbraw/zinc/01/83/33/525018333.db2.gz BMPSJYUQVSMMCJ-MRXNPFEDSA-N 1 0 356.426 1.602 20 70 FDIDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161074469 525027916 /nfs/dbraw/zinc/02/79/16/525027916.db2.gz DEZMLNCTMXCVGL-KSZLIROESA-N 1 0 364.534 1.611 20 70 FDIDRO CCC[C@@H]1CN(c2nc(C(C)C)nc(N(C)C)n2)CC[N@@H+]1CCOC ZINC000161076937 525029093 /nfs/dbraw/zinc/02/90/93/525029093.db2.gz GNBGMIWAGKSHLD-OAHLLOKOSA-N 1 0 350.511 1.998 20 70 FDIDRO C[C@H](Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C(=O)N1CCNC1=O ZINC000161192345 525052296 /nfs/dbraw/zinc/05/22/96/525052296.db2.gz PGVKOCVVXDFDOE-HNNXBMFYSA-N 1 0 373.501 1.817 20 70 FDIDRO Cc1c(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)cnn1-c1ccccc1 ZINC000161244777 525064077 /nfs/dbraw/zinc/06/40/77/525064077.db2.gz NPDUAYIYRYVOTF-UHFFFAOYSA-N 1 0 357.458 1.823 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)cnn1-c1ccccc1F ZINC000161250378 525064591 /nfs/dbraw/zinc/06/45/91/525064591.db2.gz DVWXSPZXNNNGEN-QGZVFWFLSA-N 1 0 373.432 1.715 20 70 FDIDRO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000161290412 525074046 /nfs/dbraw/zinc/07/40/46/525074046.db2.gz UYDDDWBFUHXXQR-HNNXBMFYSA-N 1 0 355.442 1.496 20 70 FDIDRO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000161368245 525093975 /nfs/dbraw/zinc/09/39/75/525093975.db2.gz OWOITVWXLAJBKL-XOBRGWDASA-N 1 0 359.470 1.911 20 70 FDIDRO CSc1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1F ZINC000161375112 525096651 /nfs/dbraw/zinc/09/66/51/525096651.db2.gz AMDKQXIFUZPBJC-UHFFFAOYSA-N 1 0 365.474 1.928 20 70 FDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000161466144 525114234 /nfs/dbraw/zinc/11/42/34/525114234.db2.gz HFSOSXKBJUEWQT-GFCCVEGCSA-N 1 0 362.442 1.678 20 70 FDIDRO CS(=O)(=O)c1ccc(OCCC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159714729 173686902 /nfs/dbraw/zinc/68/69/02/173686902.db2.gz OHSHGDBSEGJZAQ-UHFFFAOYSA-N 1 0 354.472 1.637 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000160330475 173706653 /nfs/dbraw/zinc/70/66/53/173706653.db2.gz DOEAOQJIMMDNTJ-GOEBONIOSA-N 1 0 352.862 1.854 20 70 FDIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000160347577 173707689 /nfs/dbraw/zinc/70/76/89/173707689.db2.gz OWAJOBVBVYEEPH-IAGOWNOFSA-N 1 0 359.470 1.644 20 70 FDIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC000159364404 524654403 /nfs/dbraw/zinc/65/44/03/524654403.db2.gz QEMHRJJBWOXGLD-GOSISDBHSA-N 1 0 354.458 1.181 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 ZINC000159419625 524666695 /nfs/dbraw/zinc/66/66/95/524666695.db2.gz FZGYHCHRAPVSNW-CYBMUJFWSA-N 1 0 374.441 1.164 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3)C1 ZINC000159426897 524667713 /nfs/dbraw/zinc/66/77/13/524667713.db2.gz SHIRXTYCEPDLAH-AWEZNQCLSA-N 1 0 372.469 1.604 20 70 FDIDRO Cc1occc1C(=O)NCC(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000159566618 524697086 /nfs/dbraw/zinc/69/70/86/524697086.db2.gz VDVJWXSXXYGSOU-MRXNPFEDSA-N 1 0 363.458 1.421 20 70 FDIDRO C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000159561275 524697701 /nfs/dbraw/zinc/69/77/01/524697701.db2.gz JMTWBEGNLOOPRT-IEBWSBKVSA-N 1 0 373.497 1.908 20 70 FDIDRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@@H](O)c1ccsc1 ZINC000159580716 524702065 /nfs/dbraw/zinc/70/20/65/524702065.db2.gz BHEVOAQRSKOIBD-MRXNPFEDSA-N 1 0 360.483 1.505 20 70 FDIDRO CS[C@H](CO)[C@H](C)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159726232 524726865 /nfs/dbraw/zinc/72/68/65/524726865.db2.gz JCSFHFSCTKFYAA-NXNVCVFFSA-N 1 0 351.516 1.919 20 70 FDIDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cnn(C)c1 ZINC000159746936 524730733 /nfs/dbraw/zinc/73/07/33/524730733.db2.gz ZQYJAIZRESWTGQ-AWEZNQCLSA-N 1 0 364.471 1.292 20 70 FDIDRO CC(C)NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159811209 524742465 /nfs/dbraw/zinc/74/24/65/524742465.db2.gz DCMQIKRFJKQUDH-GASCZTMLSA-N 1 0 351.472 1.340 20 70 FDIDRO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c(C)c1 ZINC000159832881 524749492 /nfs/dbraw/zinc/74/94/92/524749492.db2.gz JVUPLBAFLKGXBN-SJORKVTESA-N 1 0 361.486 1.759 20 70 FDIDRO Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159841739 524750964 /nfs/dbraw/zinc/75/09/64/524750964.db2.gz PZKISNZKKVHVMZ-LJQANCHMSA-N 1 0 368.485 1.756 20 70 FDIDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)ncn3C)[C@H](C)C1 ZINC000159853512 524752910 /nfs/dbraw/zinc/75/29/10/524752910.db2.gz WODBLNNBRDDFMC-GDBMZVCRSA-N 1 0 359.474 1.835 20 70 FDIDRO COc1ccc(C(=O)CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1F ZINC000159936347 524771058 /nfs/dbraw/zinc/77/10/58/524771058.db2.gz VKCWUGRJZKGIDZ-OAHLLOKOSA-N 1 0 366.433 1.760 20 70 FDIDRO O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159946378 524773878 /nfs/dbraw/zinc/77/38/78/524773878.db2.gz BKKBREYDDMXBBR-BETUJISGSA-N 1 0 358.410 1.578 20 70 FDIDRO Cn1cnnc1CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000159945023 524774080 /nfs/dbraw/zinc/77/40/80/524774080.db2.gz QERYEXHLRLWOES-MRXNPFEDSA-N 1 0 367.375 1.886 20 70 FDIDRO CC(C)(O)C[NH+]1CCN(C(=O)NCCc2nnc(-c3ccccc3)o2)CC1 ZINC000159949982 524775058 /nfs/dbraw/zinc/77/50/58/524775058.db2.gz CNWCJSJGJPGHLQ-UHFFFAOYSA-N 1 0 373.457 1.377 20 70 FDIDRO C[C@H](O)C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccccc1 ZINC000159960349 524777795 /nfs/dbraw/zinc/77/77/95/524777795.db2.gz YOEUBPIWECNEIO-RYQLBKOJSA-N 1 0 361.486 1.067 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000159978588 524780191 /nfs/dbraw/zinc/78/01/91/524780191.db2.gz WALGFKVKCIXKNX-LSDHHAIUSA-N 1 0 363.433 1.142 20 70 FDIDRO CC(C)C(=O)NCCC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000159990884 524784090 /nfs/dbraw/zinc/78/40/90/524784090.db2.gz NHBJFCAFSULFLR-ZDUSSCGKSA-N 1 0 356.264 1.727 20 70 FDIDRO CC(C)[C@H](CNC(=O)c1coc(S(N)(=O)=O)c1)[NH+]1CCC(C)CC1 ZINC000160005107 524788189 /nfs/dbraw/zinc/78/81/89/524788189.db2.gz XJZJFPQEZUPOJK-AWEZNQCLSA-N 1 0 357.476 1.413 20 70 FDIDRO CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC000160029407 524792886 /nfs/dbraw/zinc/79/28/86/524792886.db2.gz QWDOOBTVSNQTSH-KRWDZBQOSA-N 1 0 373.478 1.396 20 70 FDIDRO Cc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cccc1S(N)(=O)=O ZINC000160087381 524805278 /nfs/dbraw/zinc/80/52/78/524805278.db2.gz XYIOMQBOQKFETI-UKRRQHHQSA-N 1 0 351.472 1.199 20 70 FDIDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 ZINC000160082240 524805345 /nfs/dbraw/zinc/80/53/45/524805345.db2.gz MQNXUSPLOSYWIG-UHFFFAOYSA-N 1 0 353.426 1.332 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1OC[C@H]1CCCO1 ZINC000160129475 524815426 /nfs/dbraw/zinc/81/54/26/524815426.db2.gz XKBNIOQFSOQDME-IAGOWNOFSA-N 1 0 362.470 1.821 20 70 FDIDRO C[C@H]1C[C@@H](NC(=O)N(C)CC(=O)N2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000160140729 524818629 /nfs/dbraw/zinc/81/86/29/524818629.db2.gz AXFRQVKTRRAXRH-FUHWJXTLSA-N 1 0 374.485 1.150 20 70 FDIDRO CC(=O)NC1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000160163703 524822781 /nfs/dbraw/zinc/82/27/81/524822781.db2.gz ZMSDLAPBZJKPNQ-HNAYVOBHSA-N 1 0 358.486 1.960 20 70 FDIDRO C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)c1 ZINC000160165728 524823039 /nfs/dbraw/zinc/82/30/39/524823039.db2.gz YIVYICCRQUZLTO-KRWDZBQOSA-N 1 0 352.438 1.788 20 70 FDIDRO CSc1nc(C)c(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C)n1 ZINC000160170363 524825561 /nfs/dbraw/zinc/82/55/61/524825561.db2.gz RBVDDWHCVOCFGG-HNNXBMFYSA-N 1 0 366.531 1.711 20 70 FDIDRO C[C@H](NC(=O)C(C)(C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160199473 524829560 /nfs/dbraw/zinc/82/95/60/524829560.db2.gz MQGRWSRWEYLYHR-BPUTZDHNSA-N 1 0 353.507 1.421 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000160295530 524851910 /nfs/dbraw/zinc/85/19/10/524851910.db2.gz FXSJWCXNZJKEIV-JKSUJKDBSA-N 1 0 363.458 1.237 20 70 FDIDRO Cc1noc2ncc(S(=O)(=O)NC[C@H]3CCC[N@H+]3CC(C)C)cc12 ZINC000160313238 524856756 /nfs/dbraw/zinc/85/67/56/524856756.db2.gz BGVQSEXMLRVSBM-CYBMUJFWSA-N 1 0 352.460 1.930 20 70 FDIDRO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)nnn1-c1ccc(C)cc1 ZINC000160329160 524857622 /nfs/dbraw/zinc/85/76/22/524857622.db2.gz LHUSILMZRSNOQH-KRWDZBQOSA-N 1 0 357.458 1.461 20 70 FDIDRO COc1cccc(-c2nc(C)c(C(=O)N3CCN(CC[NH+](C)C)CC3)[nH]2)c1 ZINC000160327691 524857998 /nfs/dbraw/zinc/85/79/98/524857998.db2.gz HSNUQLDQPVVUOE-UHFFFAOYSA-N 1 0 371.485 1.713 20 70 FDIDRO C[NH+](C)C1(CNC(=O)CCN2C(=O)CCc3ccccc32)CCOCC1 ZINC000160334626 524859636 /nfs/dbraw/zinc/85/96/36/524859636.db2.gz LHYRJRATJYDFPW-UHFFFAOYSA-N 1 0 359.470 1.583 20 70 FDIDRO CC(=O)N[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(F)cc1F ZINC000160421435 524884767 /nfs/dbraw/zinc/88/47/67/524884767.db2.gz RRMYGHZSOHTCJJ-VBQJREDUSA-N 1 0 351.397 1.885 20 70 FDIDRO COCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000160471758 524897139 /nfs/dbraw/zinc/89/71/39/524897139.db2.gz LVSGHMJBWKMCQG-GFCCVEGCSA-N 1 0 371.840 1.526 20 70 FDIDRO C[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](c2ccc(F)cc2)O1 ZINC000160507075 524904189 /nfs/dbraw/zinc/90/41/89/524904189.db2.gz LGVFWASZHWAOPN-FZKQIMNGSA-N 1 0 373.432 1.944 20 70 FDIDRO O=C(CS(=O)(=O)C1CCCC1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160572767 524917884 /nfs/dbraw/zinc/91/78/84/524917884.db2.gz GGZRDFGZTIRTMV-DLBZAZTESA-N 1 0 372.531 1.228 20 70 FDIDRO COc1ccc(-n2ccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)n2)cc1 ZINC000160612404 524930192 /nfs/dbraw/zinc/93/01/92/524930192.db2.gz LJKUGBMTKZEFIM-INIZCTEOSA-N 1 0 358.442 1.458 20 70 FDIDRO CCOC(=O)C1(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CCC1 ZINC000160705485 524953129 /nfs/dbraw/zinc/95/31/29/524953129.db2.gz XAWVVLOFXLHAHS-IRXDYDNUSA-N 1 0 360.454 1.471 20 70 FDIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000160755371 524963556 /nfs/dbraw/zinc/96/35/56/524963556.db2.gz VNQSDPXESBNAHQ-UONOGXRCSA-N 1 0 369.491 1.239 20 70 FDIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000160755634 524963640 /nfs/dbraw/zinc/96/36/40/524963640.db2.gz VNQSDPXESBNAHQ-KBPBESRZSA-N 1 0 369.491 1.239 20 70 FDIDRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)CC1 ZINC000160864608 524985932 /nfs/dbraw/zinc/98/59/32/524985932.db2.gz LATFFMUFNPWKEH-JKSUJKDBSA-N 1 0 369.469 1.602 20 70 FDIDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC000160881563 524989053 /nfs/dbraw/zinc/98/90/53/524989053.db2.gz JIHLPIHQUAMIDS-IEBWSBKVSA-N 1 0 363.550 1.425 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)co1 ZINC000160912686 524994372 /nfs/dbraw/zinc/99/43/72/524994372.db2.gz FAJUFXWIVROBKB-SWLSCSKDSA-N 1 0 367.471 1.277 20 70 FDIDRO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000160945249 524999836 /nfs/dbraw/zinc/99/98/36/524999836.db2.gz LBYYYVMNCLFQMZ-JYJNAYRXSA-N 1 0 361.486 1.892 20 70 FDIDRO CCOc1ccc(NC(=O)CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000161007867 525014320 /nfs/dbraw/zinc/01/43/20/525014320.db2.gz RDNJWLWABWSIEF-GOSISDBHSA-N 1 0 374.485 1.262 20 70 FDIDRO C[C@H]1C[C@@H](NS(=O)(=O)CCC(=O)OCc2ccccc2)C[N@@H+]1C1CC1 ZINC000161021927 525018790 /nfs/dbraw/zinc/01/87/90/525018790.db2.gz DCDNQKIHFRNRNC-GOEBONIOSA-N 1 0 366.483 1.665 20 70 FDIDRO COCCC1(CNC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000161033740 525020046 /nfs/dbraw/zinc/02/00/46/525020046.db2.gz PHXQJCQYLZKQKU-KRWDZBQOSA-N 1 0 352.523 1.615 20 70 FDIDRO Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1O ZINC000161042071 525023241 /nfs/dbraw/zinc/02/32/41/525023241.db2.gz ZXVTZMMXPLAYQT-SFHVURJKSA-N 1 0 369.465 1.720 20 70 FDIDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000161080785 525027993 /nfs/dbraw/zinc/02/79/93/525027993.db2.gz WQROHDQXAOGVKN-KZNAEPCWSA-N 1 0 359.518 1.463 20 70 FDIDRO CC[C@H](C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1)[NH+](C)C ZINC000161073125 525028761 /nfs/dbraw/zinc/02/87/61/525028761.db2.gz FPAPMPXJQAAPMI-MRXNPFEDSA-N 1 0 353.488 1.296 20 70 FDIDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000161080529 525029466 /nfs/dbraw/zinc/02/94/66/525029466.db2.gz WQROHDQXAOGVKN-FGTMMUONSA-N 1 0 359.518 1.463 20 70 FDIDRO CC(=O)N1CCC(NC(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)CC1 ZINC000161100646 525033559 /nfs/dbraw/zinc/03/35/59/525033559.db2.gz PXAZQWABSOGDEM-LJQANCHMSA-N 1 0 358.486 1.961 20 70 FDIDRO CCC[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[NH+](C)C ZINC000161097799 525033625 /nfs/dbraw/zinc/03/36/25/525033625.db2.gz VYMMAFNCPZEYAI-KRWDZBQOSA-N 1 0 367.515 1.558 20 70 FDIDRO C[NH+](C)C1(CNC(=O)N2CCO[C@H](c3cccs3)C2)CCOCC1 ZINC000161137084 525041384 /nfs/dbraw/zinc/04/13/84/525041384.db2.gz OZVGOUFRZUMWIQ-AWEZNQCLSA-N 1 0 353.488 1.942 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161139425 525041778 /nfs/dbraw/zinc/04/17/78/525041778.db2.gz CWLXHXLIYHTFPT-CJNGLKHVSA-N 1 0 360.458 1.959 20 70 FDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cn2cnc3c4ccccc4oc3c2=O)C1 ZINC000161138062 525042648 /nfs/dbraw/zinc/04/26/48/525042648.db2.gz YGEPETLIAKQATD-HIFRSBDPSA-N 1 0 368.437 1.988 20 70 FDIDRO Cc1c(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cnn1-c1ccccc1 ZINC000161188785 525050958 /nfs/dbraw/zinc/05/09/58/525050958.db2.gz MCPZJFCIWHGBDT-HNNXBMFYSA-N 1 0 355.442 1.529 20 70 FDIDRO CC(C)[C@H]1C(=O)NCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161200899 525053685 /nfs/dbraw/zinc/05/36/85/525053685.db2.gz UVJMRUBTALJAAM-YJBOKZPZSA-N 1 0 373.501 1.773 20 70 FDIDRO CC(C)[C@@H]1C(=O)NCCN1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161201032 525053937 /nfs/dbraw/zinc/05/39/37/525053937.db2.gz UVJMRUBTALJAAM-CRAIPNDOSA-N 1 0 373.501 1.773 20 70 FDIDRO O=C(CN1CCC([C@@H](O)C(F)(F)F)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000161222427 525057928 /nfs/dbraw/zinc/05/79/28/525057928.db2.gz NIAYODZDHOQJTB-MRXNPFEDSA-N 1 0 363.424 1.365 20 70 FDIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000161251188 525063944 /nfs/dbraw/zinc/06/39/44/525063944.db2.gz UCQDOOTVKYODBJ-IAGOWNOFSA-N 1 0 359.470 1.575 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000161249541 525065215 /nfs/dbraw/zinc/06/52/15/525065215.db2.gz QIFQSLZKYLIBOP-ZDUSSCGKSA-N 1 0 371.528 1.286 20 70 FDIDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCn3ccnc3C2)c1 ZINC000161253985 525066164 /nfs/dbraw/zinc/06/61/64/525066164.db2.gz YZQHELPSWAZJSR-KRWDZBQOSA-N 1 0 369.469 1.053 20 70 FDIDRO CC[C@@H](C(=O)Nc1cccc2c1CCN(S(=O)(=O)CC)C2)[NH+](C)C ZINC000161306202 525075549 /nfs/dbraw/zinc/07/55/49/525075549.db2.gz ZUBMOEKDFHLCKH-INIZCTEOSA-N 1 0 353.488 1.673 20 70 FDIDRO Cc1nn(C)c(=O)c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1C ZINC000161349333 525086397 /nfs/dbraw/zinc/08/63/97/525086397.db2.gz JOIMLXUDOKUMIZ-UHFFFAOYSA-N 1 0 354.454 1.745 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000161412312 525103301 /nfs/dbraw/zinc/10/33/01/525103301.db2.gz UDUMYJUBFIMORB-CYBMUJFWSA-N 1 0 354.394 1.437 20 70 FDIDRO C[C@@H](Cn1cncn1)NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000161420484 525105152 /nfs/dbraw/zinc/10/51/52/525105152.db2.gz JBCBRYJRUVQFFF-HNNXBMFYSA-N 1 0 357.462 1.620 20 70 FDIDRO Cc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c(Br)c1 ZINC000161434012 525108579 /nfs/dbraw/zinc/10/85/79/525108579.db2.gz ACWZMCAPSQLFTL-CYBMUJFWSA-N 1 0 365.293 1.348 20 70 FDIDRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000161469427 525113947 /nfs/dbraw/zinc/11/39/47/525113947.db2.gz IWBFFHRKLAMNCI-AWEZNQCLSA-N 1 0 358.479 1.680 20 70 FDIDRO CN(C(=O)CS(=O)(=O)CCCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161491473 525118051 /nfs/dbraw/zinc/11/80/51/525118051.db2.gz XDLZZOILPBLTMM-JWTNVVGKSA-N 1 0 364.511 1.775 20 70 FDIDRO CNC(=O)COc1cccc(CC(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000161185918 258263632 /nfs/dbraw/zinc/26/36/32/258263632.db2.gz VBVXPFBKQNMCKW-UHFFFAOYSA-N 1 0 359.470 1.441 20 70 FDIDRO O=S(=O)(c1ccc(C[NH2+]C2Cc3ccccc3C2)cc1)N1CCOCC1 ZINC000159752924 173687880 /nfs/dbraw/zinc/68/78/80/173687880.db2.gz KWUGYBNLHYSNEY-UHFFFAOYSA-N 1 0 372.490 1.965 20 70 FDIDRO Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160137843 173699955 /nfs/dbraw/zinc/69/99/55/173699955.db2.gz MQARYTAXWWPDHE-RTBURBONSA-N 1 0 373.497 1.449 20 70 FDIDRO O=C(Cn1c(=O)[nH]c2ccccc21)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160751980 173720710 /nfs/dbraw/zinc/72/07/10/173720710.db2.gz YOPBOADCJSFKEF-ROUUACIJSA-N 1 0 372.469 1.214 20 70 FDIDRO CO[C@@H]1CCN(C(=O)c2ccc(I)cc2)[C@H](C[NH3+])C1 ZINC000161078459 173730277 /nfs/dbraw/zinc/73/02/77/173730277.db2.gz LISMXPQVMKNYKX-QWHCGFSZSA-N 1 0 374.222 1.870 20 70 FDIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000217179474 258395214 /nfs/dbraw/zinc/39/52/14/258395214.db2.gz MNGZBAWBRMUDPR-KSSFIOAISA-N 1 0 350.463 1.088 20 70 FDIDRO CO[C@H]1CCN(C(=O)c2ccc(I)cc2)[C@H](C[NH3+])C1 ZINC000161078584 518122858 /nfs/dbraw/zinc/12/28/58/518122858.db2.gz LISMXPQVMKNYKX-STQMWFEESA-N 1 0 374.222 1.870 20 70 FDIDRO CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)N2CC[NH2+]CC2)cc1 ZINC000159374711 524656545 /nfs/dbraw/zinc/65/65/45/524656545.db2.gz KGCWZDFAISILKL-INIZCTEOSA-N 1 0 361.511 1.931 20 70 FDIDRO CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CC[NH2+]CC2)cc1 ZINC000159409886 524663104 /nfs/dbraw/zinc/66/31/04/524663104.db2.gz BTVHDGJMWKPSIC-JXMROGBWSA-N 1 0 351.472 1.162 20 70 FDIDRO CCc1cc(N2CCC(NC(=O)N(CC[NH+](C)C)C(C)C)CC2)ncn1 ZINC000159415872 524663613 /nfs/dbraw/zinc/66/36/13/524663613.db2.gz IIYAUNNOCRKHGX-UHFFFAOYSA-N 1 0 362.522 1.989 20 70 FDIDRO CCCCC[C@@H](C)NC(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159422827 524665344 /nfs/dbraw/zinc/66/53/44/524665344.db2.gz KVCNOFXPYGMONB-NVXWUHKLSA-N 1 0 352.523 1.486 20 70 FDIDRO C[NH+]1CCN(c2ccc(NC(=O)CCNC(=O)C3CCCCC3)cn2)CC1 ZINC000159439054 524670553 /nfs/dbraw/zinc/67/05/53/524670553.db2.gz AFRRAKFAETXNAA-UHFFFAOYSA-N 1 0 373.501 1.859 20 70 FDIDRO C[N@@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159459915 524674594 /nfs/dbraw/zinc/67/45/94/524674594.db2.gz FCMNIXGTWBPWAO-BBRMVZONSA-N 1 0 351.422 1.127 20 70 FDIDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCC(N3CCCNC3=O)CC2)C1 ZINC000159455611 524674784 /nfs/dbraw/zinc/67/47/84/524674784.db2.gz PKTNTPOADKBMFT-HOCLYGCPSA-N 1 0 351.495 1.449 20 70 FDIDRO C[N@@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)C[C@@H]1CCC[C@@H]1O ZINC000159550694 524696197 /nfs/dbraw/zinc/69/61/97/524696197.db2.gz QIZAYHHZZYRUMK-HKUYNNGSSA-N 1 0 356.470 1.624 20 70 FDIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000159577960 524700095 /nfs/dbraw/zinc/70/00/95/524700095.db2.gz YMDGNSHJNOODHX-QGZVFWFLSA-N 1 0 364.465 1.927 20 70 FDIDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000159664430 524716158 /nfs/dbraw/zinc/71/61/58/524716158.db2.gz BWQWCKKASYZWQZ-RHSMWYFYSA-N 1 0 367.515 1.470 20 70 FDIDRO CC[N@H+](CCOc1ccc(Br)cc1)[C@H](C)C(=O)NC(N)=O ZINC000159664651 524717061 /nfs/dbraw/zinc/71/70/61/524717061.db2.gz FGXLSPQAFZOZLU-SNVBAGLBSA-N 1 0 358.236 1.733 20 70 FDIDRO [NH3+][C@H]1CCC[C@@H]1C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000159662365 524717412 /nfs/dbraw/zinc/71/74/12/524717412.db2.gz IRAJXYOEWIJOTO-IRXDYDNUSA-N 1 0 365.499 1.224 20 70 FDIDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCOCC1 ZINC000159767788 524735445 /nfs/dbraw/zinc/73/54/45/524735445.db2.gz IUXIEEFMRWPPJU-HNNXBMFYSA-N 1 0 368.499 1.612 20 70 FDIDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H]3c4ccccc4C[C@H]3O)c2)CC1 ZINC000159794766 524738862 /nfs/dbraw/zinc/73/88/62/524738862.db2.gz VNEPGPJPZNVEBD-NHCUHLMSSA-N 1 0 365.477 1.822 20 70 FDIDRO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159850039 524754135 /nfs/dbraw/zinc/75/41/35/524754135.db2.gz KUUFSLOWTFMHEB-HUUCEWRRSA-N 1 0 360.458 1.666 20 70 FDIDRO C[C@]1(O)CCCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000159868670 524757373 /nfs/dbraw/zinc/75/73/73/524757373.db2.gz QFYIILIXCQKTHJ-FQEVSTJZSA-N 1 0 360.502 1.361 20 70 FDIDRO O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC1 ZINC000159950422 524774746 /nfs/dbraw/zinc/77/47/46/524774746.db2.gz NGKDHSBSQWFPKW-INIZCTEOSA-N 1 0 353.426 1.547 20 70 FDIDRO CCO[C@H](C)c1nc(CC(=O)NC[C@H](O)C[NH+]2CCCCC2)cs1 ZINC000159960808 524776649 /nfs/dbraw/zinc/77/66/49/524776649.db2.gz WCIDDAHBKDOIGP-HIFRSBDPSA-N 1 0 355.504 1.746 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000159970461 524776709 /nfs/dbraw/zinc/77/67/09/524776709.db2.gz CPQVLTSBAUTDDU-KRWDZBQOSA-N 1 0 368.481 1.938 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccnc1OCC(F)(F)F ZINC000159974126 524779390 /nfs/dbraw/zinc/77/93/90/524779390.db2.gz NFULLOBSMBAVJD-LBPRGKRZSA-N 1 0 361.364 1.599 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000159978456 524779772 /nfs/dbraw/zinc/77/97/72/524779772.db2.gz WALGFKVKCIXKNX-HUUCEWRRSA-N 1 0 363.433 1.142 20 70 FDIDRO Cn1c2cc(C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)ccc2[nH]c1=O ZINC000159994708 524785518 /nfs/dbraw/zinc/78/55/18/524785518.db2.gz MBWMUELSFYXMEV-MRXNPFEDSA-N 1 0 352.438 1.769 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000160102905 524809289 /nfs/dbraw/zinc/80/92/89/524809289.db2.gz FOUOCWAIAMXKOW-MJGOQNOKSA-N 1 0 362.470 1.821 20 70 FDIDRO C[C@@H]1C[C@@H](NC(=O)N2CCC(NC(N)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160118232 524812052 /nfs/dbraw/zinc/81/20/52/524812052.db2.gz POQZAOBPHRIQEI-RHSMWYFYSA-N 1 0 359.474 1.492 20 70 FDIDRO CC(C)[C@H](C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)[NH+](C)C ZINC000160142331 524818984 /nfs/dbraw/zinc/81/89/84/524818984.db2.gz COTCONBMCUAAGK-GOSISDBHSA-N 1 0 352.523 1.119 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000160168167 524821861 /nfs/dbraw/zinc/82/18/61/524821861.db2.gz XDTRNSUDYWIJTG-DLBZAZTESA-N 1 0 360.454 1.956 20 70 FDIDRO C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCCN(c3ccccn3)C2)CC1 ZINC000160195108 524828917 /nfs/dbraw/zinc/82/89/17/524828917.db2.gz JAUFMVFSBOIPIF-GOSISDBHSA-N 1 0 374.533 1.376 20 70 FDIDRO Cc1csc(=O)n1CCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160232967 524836841 /nfs/dbraw/zinc/83/68/41/524836841.db2.gz GVWFWLOOUPCMGU-JKSUJKDBSA-N 1 0 367.515 1.492 20 70 FDIDRO CC(C)NC(=O)Nc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160245866 524840470 /nfs/dbraw/zinc/84/04/70/524840470.db2.gz ZSHFEWHOPQDEKX-QGZVFWFLSA-N 1 0 362.474 1.793 20 70 FDIDRO C[C@@](O)(CNC(=O)NCCCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000160261078 524842627 /nfs/dbraw/zinc/84/26/27/524842627.db2.gz KSKCGXOWDQUMPS-GOSISDBHSA-N 1 0 353.438 1.445 20 70 FDIDRO [NH3+]C[C@H]1CCCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000160307431 524853227 /nfs/dbraw/zinc/85/32/27/524853227.db2.gz ZTOSAABATSIXBB-CYBMUJFWSA-N 1 0 371.528 1.415 20 70 FDIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000160312779 524856992 /nfs/dbraw/zinc/85/69/92/524856992.db2.gz BJSCCRAJRRJFBY-SFHVURJKSA-N 1 0 367.534 1.447 20 70 FDIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160311589 524857064 /nfs/dbraw/zinc/85/70/64/524857064.db2.gz LJBQPCLAJNKYJH-YJBOKZPZSA-N 1 0 362.474 1.612 20 70 FDIDRO Cc1cccc(-n2cc(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)nn2)c1 ZINC000160330566 524860386 /nfs/dbraw/zinc/86/03/86/524860386.db2.gz ABJAMRYRNVPTRR-UHFFFAOYSA-N 1 0 369.469 1.760 20 70 FDIDRO CCN(C(=O)N[C@@H]1CCC(=O)N(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160335689 524860434 /nfs/dbraw/zinc/86/04/34/524860434.db2.gz UFFOLEUPNGEFLK-MSOLQXFVSA-N 1 0 358.486 1.913 20 70 FDIDRO [NH3+]C[C@H]1CCCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000160375414 524870765 /nfs/dbraw/zinc/87/07/65/524870765.db2.gz PEDFDZXMGGUHHK-LLVKDONJSA-N 1 0 350.469 1.949 20 70 FDIDRO CN(C)c1nc2cc(NC(=O)C(=O)NC[C@@H](C3CC3)[NH+](C)C)ccc2o1 ZINC000160396660 524878399 /nfs/dbraw/zinc/87/83/99/524878399.db2.gz WCHBITCCQHLALE-AWEZNQCLSA-N 1 0 359.430 1.289 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)NCCC[N@H+](C)Cc2ccccc2)co1 ZINC000160403881 524881167 /nfs/dbraw/zinc/88/11/67/524881167.db2.gz GESZHAOCRYLTRT-UHFFFAOYSA-N 1 0 365.455 1.440 20 70 FDIDRO COc1ccccc1NCC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160440277 524890057 /nfs/dbraw/zinc/89/00/57/524890057.db2.gz ONFUOJFLTSBUIP-QZTJIDSGSA-N 1 0 369.465 1.859 20 70 FDIDRO COc1cccc(CO[C@H](C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160469867 524896489 /nfs/dbraw/zinc/89/64/89/524896489.db2.gz HEQHWIYBDXBJTE-NVXWUHKLSA-N 1 0 350.459 1.563 20 70 FDIDRO COc1ccc(C(C)(C)C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000160482655 524900814 /nfs/dbraw/zinc/90/08/14/524900814.db2.gz ZIDWVPGLUFWPSK-SFHVURJKSA-N 1 0 373.497 1.914 20 70 FDIDRO CC(C)CNC(=O)N1CCC[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000160503615 524903549 /nfs/dbraw/zinc/90/35/49/524903549.db2.gz YYSXPHSONVDCAG-SJORKVTESA-N 1 0 368.522 1.027 20 70 FDIDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000160503475 524904554 /nfs/dbraw/zinc/90/45/54/524904554.db2.gz YYSXPHSONVDCAG-IRXDYDNUSA-N 1 0 368.522 1.027 20 70 FDIDRO C[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)N1CCSCC1 ZINC000160525800 524907655 /nfs/dbraw/zinc/90/76/55/524907655.db2.gz KEVFKTHLCSZINZ-NXHRZFHOSA-N 1 0 363.527 1.175 20 70 FDIDRO CC(=O)Nc1ccccc1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000160545905 524911592 /nfs/dbraw/zinc/91/15/92/524911592.db2.gz CUVYKYLNHCDHBA-UHFFFAOYSA-N 1 0 351.472 1.691 20 70 FDIDRO CCCc1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)[nH]c(C)c1C(=O)OC ZINC000160544784 524911720 /nfs/dbraw/zinc/91/17/20/524911720.db2.gz PKGPEKWXULREFU-AWEZNQCLSA-N 1 0 365.474 1.639 20 70 FDIDRO CCOC(=O)c1cc2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)ccc2[nH]1 ZINC000160551799 524915053 /nfs/dbraw/zinc/91/50/53/524915053.db2.gz VGQCDTYNYXCKDH-MRXNPFEDSA-N 1 0 373.453 1.921 20 70 FDIDRO Cn1nnc2cc(C(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)ccc21 ZINC000160556924 524915171 /nfs/dbraw/zinc/91/51/71/524915171.db2.gz KPQBTFGMUNMBNR-ROUUACIJSA-N 1 0 357.458 1.466 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000160564000 524916563 /nfs/dbraw/zinc/91/65/63/524916563.db2.gz YMBOOMVLCBIHME-GUYCJALGSA-N 1 0 367.396 1.421 20 70 FDIDRO CCS(=O)(=O)c1cccc(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000160638556 524936619 /nfs/dbraw/zinc/93/66/19/524936619.db2.gz NKXJUOQPPGFGGC-CVEARBPZSA-N 1 0 350.484 1.718 20 70 FDIDRO O=C(NC[C@@H]1CCCS1(=O)=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000160660412 524940640 /nfs/dbraw/zinc/94/06/40/524940640.db2.gz QIPPECJHZJUKRF-KRWDZBQOSA-N 1 0 371.547 1.861 20 70 FDIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cncc(I)c1 ZINC000160668568 524941775 /nfs/dbraw/zinc/94/17/75/524941775.db2.gz GBXPERBCLPBGQP-JTQLQIEISA-N 1 0 371.222 1.900 20 70 FDIDRO O=C(Nc1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1)c1ccco1 ZINC000160712589 524956160 /nfs/dbraw/zinc/95/61/60/524956160.db2.gz HCIXBYJCHHPLDB-UHFFFAOYSA-N 1 0 371.437 1.966 20 70 FDIDRO Cc1conc1NC(=O)C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000160782060 524971374 /nfs/dbraw/zinc/97/13/74/524971374.db2.gz KIWHDGLBHFRYCE-UHFFFAOYSA-N 1 0 358.442 1.945 20 70 FDIDRO COCc1nc2n(n1)C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)CC2 ZINC000160829544 524978710 /nfs/dbraw/zinc/97/87/10/524978710.db2.gz RNQSZJOMGQHBSZ-HUUCEWRRSA-N 1 0 364.494 1.255 20 70 FDIDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@H](C)[C@H]3C)cn2)CC1 ZINC000160840118 524981343 /nfs/dbraw/zinc/98/13/43/524981343.db2.gz IPNQYHLPPISNPJ-HZPDHXFCSA-N 1 0 361.490 1.542 20 70 FDIDRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)CC1 ZINC000160864475 524987006 /nfs/dbraw/zinc/98/70/06/524987006.db2.gz LATFFMUFNPWKEH-CVEARBPZSA-N 1 0 369.469 1.602 20 70 FDIDRO C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000161083455 525031825 /nfs/dbraw/zinc/03/18/25/525031825.db2.gz JLHGFJUBDACULJ-BBWFWOEESA-N 1 0 350.507 1.269 20 70 FDIDRO CCC[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)c(F)c2)CC[N@@H+]1CCOC ZINC000161162543 525045630 /nfs/dbraw/zinc/04/56/30/525045630.db2.gz SQIOAKCHUOAVEP-CQSZACIVSA-N 1 0 366.437 1.889 20 70 FDIDRO O=C(C[C@]1(C(=O)NCc2ccccc2)CC[NH2+]C1)NCc1ccccc1 ZINC000161161812 525046514 /nfs/dbraw/zinc/04/65/14/525046514.db2.gz JJHPDUSSFZHMEY-OAQYLSRUSA-N 1 0 351.450 1.989 20 70 FDIDRO CCC(=O)N1CC[C@H](C(=O)N(C)C2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000161199094 525051535 /nfs/dbraw/zinc/05/15/35/525051535.db2.gz WSEJKHAWZFRXOZ-SFHVURJKSA-N 1 0 372.513 1.805 20 70 FDIDRO CCC[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC000161207590 525053174 /nfs/dbraw/zinc/05/31/74/525053174.db2.gz NRDNTGOWOBHIAM-INIZCTEOSA-N 1 0 371.478 1.389 20 70 FDIDRO CN1C(=O)NC2(CC[NH+](CC3CCN(C(=O)C(C)(C)C)CC3)CC2)C1=O ZINC000161202832 525055110 /nfs/dbraw/zinc/05/51/10/525055110.db2.gz WZOCAPIQFASXSL-UHFFFAOYSA-N 1 0 364.490 1.287 20 70 FDIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@]2(O)CCSC2)CC1 ZINC000161229126 525060869 /nfs/dbraw/zinc/06/08/69/525060869.db2.gz WFWWPWWWXWKXBH-KBXCAEBGSA-N 1 0 364.515 1.774 20 70 FDIDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000161241300 525061659 /nfs/dbraw/zinc/06/16/59/525061659.db2.gz PXQRNUYMXMCVAT-HNNXBMFYSA-N 1 0 353.488 1.718 20 70 FDIDRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000161253385 525066920 /nfs/dbraw/zinc/06/69/20/525066920.db2.gz HMWCRELVWYFNCP-DLBZAZTESA-N 1 0 359.470 1.433 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000161269340 525071310 /nfs/dbraw/zinc/07/13/10/525071310.db2.gz DTBSHLLQYICMRV-AAEUAGOBSA-N 1 0 359.879 1.217 20 70 FDIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(F)cc1Cl ZINC000161307811 525078863 /nfs/dbraw/zinc/07/88/63/525078863.db2.gz PXGHXYCFWBSPJM-UHFFFAOYSA-N 1 0 368.858 1.040 20 70 FDIDRO Cc1cc(Cl)ncc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000161321055 525080178 /nfs/dbraw/zinc/08/01/78/525080178.db2.gz XQPXEQKCFRPZPN-CYBMUJFWSA-N 1 0 350.850 1.926 20 70 FDIDRO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000161368018 525090381 /nfs/dbraw/zinc/09/03/81/525090381.db2.gz OWOITVWXLAJBKL-VBKZILBWSA-N 1 0 359.470 1.911 20 70 FDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)Cc2ccccc2F)CC1 ZINC000161439775 525108516 /nfs/dbraw/zinc/10/85/16/525108516.db2.gz IOFHHTIGBAEZKW-CQSZACIVSA-N 1 0 358.479 1.680 20 70 FDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000161491984 525117886 /nfs/dbraw/zinc/11/78/86/525117886.db2.gz VGOVDFFKMVCLPA-ZDUSSCGKSA-N 1 0 365.293 1.181 20 70 FDIDRO COc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1OC(F)F ZINC000160005740 173695201 /nfs/dbraw/zinc/69/52/01/173695201.db2.gz XTFDNPNXAKATSJ-CYBMUJFWSA-N 1 0 358.385 1.873 20 70 FDIDRO CNC(=O)c1ccc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000160146694 173700833 /nfs/dbraw/zinc/70/08/33/173700833.db2.gz JJTAZXXRSMEICE-UHFFFAOYSA-N 1 0 353.488 1.637 20 70 FDIDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160327290 173707036 /nfs/dbraw/zinc/70/70/36/173707036.db2.gz DMEMYROFMYQCTF-LLVKDONJSA-N 1 0 351.373 1.924 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnn(CC(F)F)c2)C1 ZINC000159367021 524652800 /nfs/dbraw/zinc/65/28/00/524652800.db2.gz RCLQMCBWHGFIMP-LBPRGKRZSA-N 1 0 357.405 1.181 20 70 FDIDRO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)C1 ZINC000159382971 524658817 /nfs/dbraw/zinc/65/88/17/524658817.db2.gz KQXPTHXKKQQRSA-ZDUSSCGKSA-N 1 0 368.503 1.931 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 ZINC000159391382 524659353 /nfs/dbraw/zinc/65/93/53/524659353.db2.gz MHYVFFAORXGLAM-HNNXBMFYSA-N 1 0 374.485 1.421 20 70 FDIDRO C[NH+]1CCN(c2cc(C(=O)NC[C@]3(O)CCc4ccccc43)ccn2)CC1 ZINC000159414273 524663676 /nfs/dbraw/zinc/66/36/76/524663676.db2.gz MQKMWQHEBJCVBO-OAQYLSRUSA-N 1 0 366.465 1.397 20 70 FDIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CC(=O)NCC2CCCCC2)CC1 ZINC000159414526 524664422 /nfs/dbraw/zinc/66/44/22/524664422.db2.gz KSMGVCQUKAWZRL-QGZVFWFLSA-N 1 0 350.507 1.097 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(-c3nnco3)c2)C1 ZINC000159427037 524667304 /nfs/dbraw/zinc/66/73/04/524667304.db2.gz LYLMJUCPEUEPSY-CQSZACIVSA-N 1 0 371.441 1.769 20 70 FDIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000159485060 524680228 /nfs/dbraw/zinc/68/02/28/524680228.db2.gz KAXRXGUDHNBHPN-MRXNPFEDSA-N 1 0 370.453 1.414 20 70 FDIDRO CCNC(=O)CN1CCN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000159607717 524708734 /nfs/dbraw/zinc/70/87/34/524708734.db2.gz UTKBKTQJMRJQAI-UHFFFAOYSA-N 1 0 374.529 1.811 20 70 FDIDRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159655997 524714346 /nfs/dbraw/zinc/71/43/46/524714346.db2.gz QKWFEZVLVUENLO-UHFFFAOYSA-N 1 0 373.906 1.982 20 70 FDIDRO CCC(CC)(CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C(=O)OC ZINC000159674217 524719908 /nfs/dbraw/zinc/71/99/08/524719908.db2.gz AGHGKMOXVLHEHX-HNNXBMFYSA-N 1 0 356.511 1.149 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000159676058 524719938 /nfs/dbraw/zinc/71/99/38/524719938.db2.gz LTIJCYCGIZWGRW-MOPGFXCFSA-N 1 0 361.486 1.910 20 70 FDIDRO CN(C[C@@H](O)COCc1ccccc1)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000159738397 524729323 /nfs/dbraw/zinc/72/93/23/524729323.db2.gz TVHBUZSSTDIJAH-OAHLLOKOSA-N 1 0 354.414 1.258 20 70 FDIDRO CCN(CC)C(=O)C1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000159806720 524742688 /nfs/dbraw/zinc/74/26/88/524742688.db2.gz LJERUWJNPGKZRR-UHFFFAOYSA-N 1 0 364.490 1.431 20 70 FDIDRO C[C@H](CCNC(=O)C1CC2(C1)NC(=O)NC2=O)[N@H+](C)Cc1ccccc1 ZINC000159861017 524755913 /nfs/dbraw/zinc/75/59/13/524755913.db2.gz LVNHKALUANHFHC-VZDIAYEVSA-N 1 0 358.442 1.001 20 70 FDIDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CCCS1(=O)=O ZINC000159876927 524758595 /nfs/dbraw/zinc/75/85/95/524758595.db2.gz JBAWUZWNNAEMJI-KRWDZBQOSA-N 1 0 365.499 1.659 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000159969400 524778229 /nfs/dbraw/zinc/77/82/29/524778229.db2.gz SCOXKPSEYJBXOA-OAHLLOKOSA-N 1 0 366.412 1.807 20 70 FDIDRO O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CCC2(CCCC2)CC1 ZINC000159988964 524782765 /nfs/dbraw/zinc/78/27/65/524782765.db2.gz LERWMKVYOXFZGP-UHFFFAOYSA-N 1 0 366.550 1.742 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccnc(OCC(F)(F)F)c1 ZINC000160010475 524786575 /nfs/dbraw/zinc/78/65/75/524786575.db2.gz BXRSEJVJCDBBSF-ZDUSSCGKSA-N 1 0 361.364 1.599 20 70 FDIDRO CC1CCC([NH+]2CCN(C(=O)c3ccnc4c(C(N)=O)cnn43)CC2)CC1 ZINC000160005296 524787175 /nfs/dbraw/zinc/78/71/75/524787175.db2.gz AGDNMNUCXVJGGW-UHFFFAOYSA-N 1 0 370.457 1.165 20 70 FDIDRO C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)CN1CCOCC1 ZINC000160017273 524788832 /nfs/dbraw/zinc/78/88/32/524788832.db2.gz ZDWBMPFYFJQQDK-QUCCMNQESA-N 1 0 374.529 1.919 20 70 FDIDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3ccccc3F)c2C)CC1 ZINC000160039951 524794469 /nfs/dbraw/zinc/79/44/69/524794469.db2.gz OEHLSVKWKAUPDC-UHFFFAOYSA-N 1 0 373.432 1.859 20 70 FDIDRO C[C@H]1CC(=O)CC[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000160038505 524795306 /nfs/dbraw/zinc/79/53/06/524795306.db2.gz CRIQAGAQMKEIMR-FXAWDEMLSA-N 1 0 357.498 1.926 20 70 FDIDRO CC[NH+]1CCN(CCNC(=O)c2cccc(Nc3cnccn3)c2)CC1 ZINC000160082517 524806211 /nfs/dbraw/zinc/80/62/11/524806211.db2.gz WEXIEBQRBLKSLT-UHFFFAOYSA-N 1 0 354.458 1.588 20 70 FDIDRO COc1ccc(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1OC ZINC000160133269 524817189 /nfs/dbraw/zinc/81/71/89/524817189.db2.gz OJAQEHSUWSTJSV-MRXNPFEDSA-N 1 0 350.459 1.599 20 70 FDIDRO CC(C)(C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000160187008 524826730 /nfs/dbraw/zinc/82/67/30/524826730.db2.gz NXKQGVBLBIWXKZ-MRXNPFEDSA-N 1 0 362.470 1.698 20 70 FDIDRO COC(=O)c1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160223292 524834568 /nfs/dbraw/zinc/83/45/68/524834568.db2.gz PPXQWQTXPBXORU-ZWKOTPCHSA-N 1 0 360.454 1.971 20 70 FDIDRO COC(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160237087 524838800 /nfs/dbraw/zinc/83/88/00/524838800.db2.gz OYFXDRONLJISKF-QZTJIDSGSA-N 1 0 360.454 1.971 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000160330575 524859521 /nfs/dbraw/zinc/85/95/21/524859521.db2.gz DOEAOQJIMMDNTJ-GDBMZVCRSA-N 1 0 352.862 1.854 20 70 FDIDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c(OC)c1 ZINC000160330511 524861408 /nfs/dbraw/zinc/86/14/08/524861408.db2.gz AGFUKEYEAOYCPU-JSGCOSHPSA-N 1 0 373.457 1.925 20 70 FDIDRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160405030 524880879 /nfs/dbraw/zinc/88/08/79/524880879.db2.gz PQWKYTDZPHJWPO-IJEWVQPXSA-N 1 0 355.446 1.206 20 70 FDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)CC2 ZINC000160441408 524889701 /nfs/dbraw/zinc/88/97/01/524889701.db2.gz RQCVDLMMKUNQDQ-MFKMUULPSA-N 1 0 352.435 1.795 20 70 FDIDRO C[C@H](NC(=O)CC1CCCCC1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160436766 524890541 /nfs/dbraw/zinc/89/05/41/524890541.db2.gz ZYKDREHCSDAJOL-DOTOQJQBSA-N 1 0 353.507 1.425 20 70 FDIDRO Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)[nH]n1 ZINC000160444483 524890570 /nfs/dbraw/zinc/89/05/70/524890570.db2.gz DEPFXMFRYOJTOI-AWEZNQCLSA-N 1 0 360.462 1.004 20 70 FDIDRO CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160447961 524891573 /nfs/dbraw/zinc/89/15/73/524891573.db2.gz RRCLWAGWRCDZGA-CEXWTWQISA-N 1 0 373.497 1.529 20 70 FDIDRO COc1ccccc1OCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160453839 524893475 /nfs/dbraw/zinc/89/34/75/524893475.db2.gz DOEXBZDWXDZAIO-IAGOWNOFSA-N 1 0 362.470 1.958 20 70 FDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NC(=O)COc1ccccc1 ZINC000160475801 524897239 /nfs/dbraw/zinc/89/72/39/524897239.db2.gz CSINJGXILWBVCD-DLBZAZTESA-N 1 0 361.486 1.807 20 70 FDIDRO O=C(Cc1csc(-c2cccnc2)n1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160480110 524898949 /nfs/dbraw/zinc/89/89/49/524898949.db2.gz LRSXRXCETCIVJE-MRXNPFEDSA-N 1 0 360.483 1.711 20 70 FDIDRO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160571452 524918095 /nfs/dbraw/zinc/91/80/95/524918095.db2.gz SNKHAOCCDQBUFQ-JTDSTZFVSA-N 1 0 352.475 1.558 20 70 FDIDRO COCc1nc2n(n1)C[C@H](NC(=O)N1CCC([NH+]3CCCC3)CC1)CC2 ZINC000160577716 524921298 /nfs/dbraw/zinc/92/12/98/524921298.db2.gz SFJSWTAJQRUOGV-CQSZACIVSA-N 1 0 362.478 1.009 20 70 FDIDRO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160579714 524921443 /nfs/dbraw/zinc/92/14/43/524921443.db2.gz YGNKYRAKBPHJIU-CZUORRHYSA-N 1 0 367.877 1.421 20 70 FDIDRO CC(C)(C)c1noc(CCCC(=O)NCC2CC[NH+](CCO)CC2)n1 ZINC000160593161 524922314 /nfs/dbraw/zinc/92/23/14/524922314.db2.gz JSHAWTKUOPIQFG-UHFFFAOYSA-N 1 0 352.479 1.510 20 70 FDIDRO COc1ccc(-n2c(NC(=O)[C@@H]3C[NH2+]CCO3)nc3ccccc32)cc1 ZINC000160633216 524934375 /nfs/dbraw/zinc/93/43/75/524934375.db2.gz MZUMZCJBSYCWNR-KRWDZBQOSA-N 1 0 352.394 1.961 20 70 FDIDRO Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000160638908 524935317 /nfs/dbraw/zinc/93/53/17/524935317.db2.gz CJYRQKWQYWCBMP-UHFFFAOYSA-N 1 0 357.458 1.539 20 70 FDIDRO Cc1nn(C)cc1C[NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000160643990 524938340 /nfs/dbraw/zinc/93/83/40/524938340.db2.gz ODTUZAFISTVCTD-UHFFFAOYSA-N 1 0 359.449 1.696 20 70 FDIDRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc2nccnc2c1 ZINC000160673171 524945998 /nfs/dbraw/zinc/94/59/98/524945998.db2.gz OIIGHECMJJJLPD-MSOLQXFVSA-N 1 0 362.433 1.995 20 70 FDIDRO O=C(NC[C@H](O)COc1ccc(F)c(F)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160705558 524954797 /nfs/dbraw/zinc/95/47/97/524954797.db2.gz SQANNJAHEHSUEB-KGLIPLIRSA-N 1 0 369.412 1.488 20 70 FDIDRO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160721077 524955182 /nfs/dbraw/zinc/95/51/82/524955182.db2.gz YSYRMMKYRAHLGW-MRXNPFEDSA-N 1 0 373.563 1.673 20 70 FDIDRO O=C(CNC(=O)c1cccnc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000160795519 524973101 /nfs/dbraw/zinc/97/31/01/524973101.db2.gz XHGDPQKNLMITAL-UHFFFAOYSA-N 1 0 358.486 1.926 20 70 FDIDRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)CC1 ZINC000160864355 524985890 /nfs/dbraw/zinc/98/58/90/524985890.db2.gz LATFFMUFNPWKEH-HOTGVXAUSA-N 1 0 369.469 1.602 20 70 FDIDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCNS(C)(=O)=O)CC1 ZINC000160918412 524996807 /nfs/dbraw/zinc/99/68/07/524996807.db2.gz SFIBLDFWXFBJKT-OAHLLOKOSA-N 1 0 374.551 1.222 20 70 FDIDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000160959177 525003567 /nfs/dbraw/zinc/00/35/67/525003567.db2.gz CWWXAKYCXVDNTP-CYBMUJFWSA-N 1 0 368.437 1.711 20 70 FDIDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161009487 525015568 /nfs/dbraw/zinc/01/55/68/525015568.db2.gz LEJXOUAONFUXAN-ZNXRZULTSA-N 1 0 359.445 1.917 20 70 FDIDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCc4ncnn4C3)C2)CC1 ZINC000161011635 525016585 /nfs/dbraw/zinc/01/65/85/525016585.db2.gz AXODFHGYUZOPKQ-IRXDYDNUSA-N 1 0 360.506 1.746 20 70 FDIDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCc4ncnn4C3)C2)CC1 ZINC000161011397 525017681 /nfs/dbraw/zinc/01/76/81/525017681.db2.gz AXODFHGYUZOPKQ-DLBZAZTESA-N 1 0 360.506 1.746 20 70 FDIDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C1(NC(N)=O)CC1 ZINC000161066773 525027266 /nfs/dbraw/zinc/02/72/66/525027266.db2.gz NYRTVWURKPQDRA-MRXNPFEDSA-N 1 0 358.486 1.777 20 70 FDIDRO COCCC[NH+]1CCC(NC(=O)NCCOc2ccc(Cl)cn2)CC1 ZINC000161101547 525032402 /nfs/dbraw/zinc/03/24/02/525032402.db2.gz AVUJRFOVYNFJNB-UHFFFAOYSA-N 1 0 370.881 1.914 20 70 FDIDRO CCC(=O)N1CC[C@@H](C(=O)N(C)C2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000161199209 525051669 /nfs/dbraw/zinc/05/16/69/525051669.db2.gz WSEJKHAWZFRXOZ-GOSISDBHSA-N 1 0 372.513 1.805 20 70 FDIDRO O=C(CN1CCN(CCC[NH+]2CCCCC2)CC1)N1CCCCCC1 ZINC000161238439 525062779 /nfs/dbraw/zinc/06/27/79/525062779.db2.gz GRQCEAAKIDCDFA-UHFFFAOYSA-N 1 0 350.551 1.883 20 70 FDIDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1 ZINC000161244498 525064847 /nfs/dbraw/zinc/06/48/47/525064847.db2.gz CCUOYYMKMMTWSW-UHFFFAOYSA-N 1 0 357.458 1.886 20 70 FDIDRO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000161262197 525068444 /nfs/dbraw/zinc/06/84/44/525068444.db2.gz MVHNGEQVIMKSOA-UHFFFAOYSA-N 1 0 357.458 1.884 20 70 FDIDRO COc1ccc([C@H](NC(=O)[C@@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000161268796 525070296 /nfs/dbraw/zinc/07/02/96/525070296.db2.gz SRZDYZASEUHDHH-PXAZEXFGSA-N 1 0 362.451 1.652 20 70 FDIDRO CCC(CC)(C[NH3+])C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000161283035 525071748 /nfs/dbraw/zinc/07/17/48/525071748.db2.gz CNTWGDCWJDNNFO-OAHLLOKOSA-N 1 0 352.523 1.343 20 70 FDIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1cccc(Cl)c1F ZINC000161418851 525104463 /nfs/dbraw/zinc/10/44/63/525104463.db2.gz ZJCXUFHVHQCXLT-UHFFFAOYSA-N 1 0 350.843 1.462 20 70 FDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000161479805 525116662 /nfs/dbraw/zinc/11/66/62/525116662.db2.gz FQFPUQHLUPZWPZ-CQSZACIVSA-N 1 0 357.476 1.380 20 70 FDIDRO CN(C(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)C1CCCCC1 ZINC000159413893 524664124 /nfs/dbraw/zinc/66/41/24/524664124.db2.gz MKBIADQSJWMIFB-QGZVFWFLSA-N 1 0 350.507 1.192 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2-n2cccn2)C1 ZINC000159427367 524668295 /nfs/dbraw/zinc/66/82/95/524668295.db2.gz BNQRWAKTMUSXQK-MRXNPFEDSA-N 1 0 369.469 1.905 20 70 FDIDRO COC(=O)c1[nH]c(C)c(C(=O)N(C)CCCN2CC[NH+](C)CC2)c1C ZINC000159475594 524680933 /nfs/dbraw/zinc/68/09/33/524680933.db2.gz GDQRDDRLFLRHGP-UHFFFAOYSA-N 1 0 350.463 1.128 20 70 FDIDRO C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000159561010 524697532 /nfs/dbraw/zinc/69/75/32/524697532.db2.gz JMTWBEGNLOOPRT-MJGOQNOKSA-N 1 0 373.497 1.908 20 70 FDIDRO C[NH+](C)[C@H](CNC(=O)CN1CCC(O)(C(F)(F)F)CC1)c1ccccc1 ZINC000159609403 524708994 /nfs/dbraw/zinc/70/89/94/524708994.db2.gz RWHMRHGOVWCJSH-OAHLLOKOSA-N 1 0 373.419 1.795 20 70 FDIDRO O=C(C1CCC1)N1CSC[C@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159761764 524735632 /nfs/dbraw/zinc/73/56/32/524735632.db2.gz UAWMXRFTRYQGND-INIZCTEOSA-N 1 0 351.516 1.679 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 ZINC000159786590 524739212 /nfs/dbraw/zinc/73/92/12/524739212.db2.gz KKSCJMCMIKWCTN-UHFFFAOYSA-N 1 0 350.438 1.222 20 70 FDIDRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000159811719 524742859 /nfs/dbraw/zinc/74/28/59/524742859.db2.gz BXWUTLZZDJLHOH-IRXDYDNUSA-N 1 0 361.486 1.807 20 70 FDIDRO O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159864397 524754969 /nfs/dbraw/zinc/75/49/69/524754969.db2.gz QTFVSDNMXUMIDI-OKILXGFUSA-N 1 0 355.360 1.788 20 70 FDIDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCNC2=O)cc1 ZINC000159870946 524757676 /nfs/dbraw/zinc/75/76/76/524757676.db2.gz VLIFJWKRZXHMAY-CHWSQXEVSA-N 1 0 357.414 1.065 20 70 FDIDRO Cc1cc(Cl)ncc1NC(=O)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000159892630 524762199 /nfs/dbraw/zinc/76/21/99/524762199.db2.gz IYHSCDJQYUMHHG-UHFFFAOYSA-N 1 0 354.838 1.209 20 70 FDIDRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC1 ZINC000159950567 524774295 /nfs/dbraw/zinc/77/42/95/524774295.db2.gz NGKDHSBSQWFPKW-MRXNPFEDSA-N 1 0 353.426 1.547 20 70 FDIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(Br)cc1F ZINC000159948754 524775860 /nfs/dbraw/zinc/77/58/60/524775860.db2.gz CWZLZTQCXAQICK-LLVKDONJSA-N 1 0 351.241 1.946 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000159972677 524779683 /nfs/dbraw/zinc/77/96/83/524779683.db2.gz FZNQIUFSBCTRHW-IBGZPJMESA-N 1 0 372.513 1.957 20 70 FDIDRO CCCNC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159978279 524780221 /nfs/dbraw/zinc/78/02/21/524780221.db2.gz ACXGOABAGDKBJX-INIZCTEOSA-N 1 0 355.442 1.795 20 70 FDIDRO Cc1cc(=O)c(C(=O)NCCC[NH3+])nn1-c1ccccc1C(F)(F)F ZINC000159988559 524782910 /nfs/dbraw/zinc/78/29/10/524782910.db2.gz YBGPHTXQLGIXIF-UHFFFAOYSA-N 1 0 354.332 1.638 20 70 FDIDRO CN(CC(=O)Nc1ccccc1I)[C@H](C[NH3+])C1CC1 ZINC000160012438 524788944 /nfs/dbraw/zinc/78/89/44/524788944.db2.gz VETLDZDZBCHNGB-CYBMUJFWSA-N 1 0 373.238 1.899 20 70 FDIDRO Cn1c2cccc(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)c2oc1=O ZINC000160063922 524801015 /nfs/dbraw/zinc/80/10/15/524801015.db2.gz RJSNYAXNDKOTRK-UHFFFAOYSA-N 1 0 366.421 1.921 20 70 FDIDRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCN2c3ccccc3CCC2=O)CC1 ZINC000160074647 524803766 /nfs/dbraw/zinc/80/37/66/524803766.db2.gz JHZCSZQHJMGSRO-KRWDZBQOSA-N 1 0 372.513 1.498 20 70 FDIDRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000160098552 524806758 /nfs/dbraw/zinc/80/67/58/524806758.db2.gz LDOWMWPWKBDBSW-LLVKDONJSA-N 1 0 360.863 1.702 20 70 FDIDRO CCN1CC[NH+](CCCCNC(=O)c2cc3c([nH]c2=O)CCCCC3)CC1 ZINC000160093945 524806848 /nfs/dbraw/zinc/80/68/48/524806848.db2.gz PQLRXCYCVCQBGE-UHFFFAOYSA-N 1 0 374.529 1.791 20 70 FDIDRO Cc1ccc(C(=O)NCC(C)(C)[NH3+])cc1S(=O)(=O)N1CCCCC1 ZINC000160104225 524811005 /nfs/dbraw/zinc/81/10/05/524811005.db2.gz NJDGSPOZKCVQEJ-UHFFFAOYSA-N 1 0 353.488 1.637 20 70 FDIDRO CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000160113535 524812219 /nfs/dbraw/zinc/81/22/19/524812219.db2.gz HJGCDKBQCKCALT-MRXNPFEDSA-N 1 0 365.499 1.685 20 70 FDIDRO C[C@@H]1C[C@@H](NC(=O)N(C)CC(=O)N2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000160140620 524817936 /nfs/dbraw/zinc/81/79/36/524817936.db2.gz AXFRQVKTRRAXRH-SJLPKXTDSA-N 1 0 374.485 1.150 20 70 FDIDRO O=C1OCc2ccc(S(=O)(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)cc21 ZINC000160149719 524819740 /nfs/dbraw/zinc/81/97/40/524819740.db2.gz SZKKXETYHOCUNV-HNNXBMFYSA-N 1 0 364.467 1.996 20 70 FDIDRO Cn1cnnc1[C@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160214674 524833747 /nfs/dbraw/zinc/83/37/47/524833747.db2.gz SXOZNTMNXGIJBY-SJORKVTESA-N 1 0 356.474 1.371 20 70 FDIDRO C[C@@H](c1ccccc1)N1C[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1=O ZINC000160230010 524837848 /nfs/dbraw/zinc/83/78/48/524837848.db2.gz JEZPQYNDHNUMFL-UHOSZYNNSA-N 1 0 373.497 1.559 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cnn1-c1ccccc1 ZINC000160241538 524838500 /nfs/dbraw/zinc/83/85/00/524838500.db2.gz KYZADUCIRSFMBK-OAHLLOKOSA-N 1 0 367.453 1.720 20 70 FDIDRO Cc1ccc(N2CC[C@H](C(=O)NC[C@@H](O)C[NH+]3CCCCC3)C2=O)cc1C ZINC000160237360 524839629 /nfs/dbraw/zinc/83/96/29/524839629.db2.gz XLBSZNIKFIISQO-RTBURBONSA-N 1 0 373.497 1.619 20 70 FDIDRO CC(C)(C)C(=O)NCCCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160287316 524850247 /nfs/dbraw/zinc/85/02/47/524850247.db2.gz YYMDEAAWDKAFGZ-IRXDYDNUSA-N 1 0 367.534 1.813 20 70 FDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000160306801 524854858 /nfs/dbraw/zinc/85/48/58/524854858.db2.gz BWBCYTRJYPZUMA-CABCVRRESA-N 1 0 356.492 1.243 20 70 FDIDRO NC(=O)[C@H]1CC[C@@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)O1 ZINC000160342586 524863099 /nfs/dbraw/zinc/86/30/99/524863099.db2.gz FRJHEUNARSNNGZ-DLBZAZTESA-N 1 0 366.506 1.317 20 70 FDIDRO CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160364141 524869318 /nfs/dbraw/zinc/86/93/18/524869318.db2.gz QNKVTPJECGRVOC-QZTJIDSGSA-N 1 0 361.486 1.404 20 70 FDIDRO O=C(NCc1ccc(O)c(F)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000160384436 524874594 /nfs/dbraw/zinc/87/45/94/524874594.db2.gz NEZZBXLZKROQAF-AWEZNQCLSA-N 1 0 351.422 1.831 20 70 FDIDRO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160428224 524886812 /nfs/dbraw/zinc/88/68/12/524886812.db2.gz FSICYGAOTILAMP-YJBOKZPZSA-N 1 0 351.516 1.901 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cn(-c2ccccc2)nn1 ZINC000160435874 524887546 /nfs/dbraw/zinc/88/75/46/524887546.db2.gz RTTAMLTZQKDQSW-OALUTQOASA-N 1 0 369.469 1.765 20 70 FDIDRO C[S@@](=O)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160488390 524899929 /nfs/dbraw/zinc/89/99/29/524899929.db2.gz DXJNZNSXHZYGMA-RPPIVITFSA-N 1 0 364.511 1.922 20 70 FDIDRO O=C(CC[C@@H]1Cc2ccccc2NC1=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160524761 524907628 /nfs/dbraw/zinc/90/76/28/524907628.db2.gz SQHODWJISNHTSG-SJORKVTESA-N 1 0 359.470 1.541 20 70 FDIDRO COCCOCCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000160526019 524907902 /nfs/dbraw/zinc/90/79/02/524907902.db2.gz YWEGZNMSJQHJSF-UHFFFAOYSA-N 1 0 350.463 1.602 20 70 FDIDRO Cn1cnc(-c2ccc(NC(=O)N3CCC([N@H+](C)CCCO)CC3)cc2)n1 ZINC000160525801 524908234 /nfs/dbraw/zinc/90/82/34/524908234.db2.gz LOJWBMYHOYCWKW-UHFFFAOYSA-N 1 0 372.473 1.793 20 70 FDIDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160621430 524931786 /nfs/dbraw/zinc/93/17/86/524931786.db2.gz DAVLOIPTJSPXBA-CQSZACIVSA-N 1 0 357.462 1.240 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)C1 ZINC000160637498 524936276 /nfs/dbraw/zinc/93/62/76/524936276.db2.gz AVIAHWGCDJRFGC-JTQLQIEISA-N 1 0 357.311 1.859 20 70 FDIDRO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160664387 524942058 /nfs/dbraw/zinc/94/20/58/524942058.db2.gz VCTVDUQQSFODCU-KDOFPFPSSA-N 1 0 359.470 1.715 20 70 FDIDRO CC(C)(C)CC(=O)NCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160677154 524944109 /nfs/dbraw/zinc/94/41/09/524944109.db2.gz VJURFFFYADMUQX-HZPDHXFCSA-N 1 0 353.507 1.423 20 70 FDIDRO Cc1cc(C)n(-c2ccc(C(=O)NCC3CC[NH+](CCO)CC3)cc2)n1 ZINC000160675600 524946055 /nfs/dbraw/zinc/94/60/55/524946055.db2.gz UGPRQWHJJBBSOS-UHFFFAOYSA-N 1 0 356.470 1.923 20 70 FDIDRO CCOC(=O)C1(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CCC1 ZINC000160705750 524952588 /nfs/dbraw/zinc/95/25/88/524952588.db2.gz XAWVVLOFXLHAHS-DLBZAZTESA-N 1 0 360.454 1.471 20 70 FDIDRO CCN(C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160722400 524956775 /nfs/dbraw/zinc/95/67/75/524956775.db2.gz BJHIHMQRWGLIHB-FGTMMUONSA-N 1 0 374.485 1.325 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)co1 ZINC000160816084 524977264 /nfs/dbraw/zinc/97/72/64/524977264.db2.gz QJVQFCKWKWLJBQ-LBPRGKRZSA-N 1 0 355.460 1.277 20 70 FDIDRO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000160863969 524986195 /nfs/dbraw/zinc/98/61/95/524986195.db2.gz XJZGVMZUQKPBGR-XHSDSOJGSA-N 1 0 352.500 1.893 20 70 FDIDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC000160881833 524988211 /nfs/dbraw/zinc/98/82/11/524988211.db2.gz JIHLPIHQUAMIDS-PKOBYXMFSA-N 1 0 363.550 1.425 20 70 FDIDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000160888163 524990043 /nfs/dbraw/zinc/99/00/43/524990043.db2.gz ATMPZXLAOWBRAE-ZDUSSCGKSA-N 1 0 374.532 1.200 20 70 FDIDRO Cc1c(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cnn1CC(C)C ZINC000160936637 525000666 /nfs/dbraw/zinc/00/06/66/525000666.db2.gz IZJYDFIQPJSVFA-UHFFFAOYSA-N 1 0 361.534 1.947 20 70 FDIDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)CC2 ZINC000160973989 525005512 /nfs/dbraw/zinc/00/55/12/525005512.db2.gz GCGCLUDYAUHBHY-GOSISDBHSA-N 1 0 353.422 1.687 20 70 FDIDRO Cc1conc1NC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000160971597 525007200 /nfs/dbraw/zinc/00/72/00/525007200.db2.gz SSOGATPGSGVMHP-OKILXGFUSA-N 1 0 364.446 1.269 20 70 FDIDRO CC(C)(CNC(=O)CC[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000160997371 525012468 /nfs/dbraw/zinc/01/24/68/525012468.db2.gz SFDVUPVFOFAAME-UHFFFAOYSA-N 1 0 363.277 1.466 20 70 FDIDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@H]3CCc4ncnn4C3)C2)CC1 ZINC000161011756 525015975 /nfs/dbraw/zinc/01/59/75/525015975.db2.gz AXODFHGYUZOPKQ-SJORKVTESA-N 1 0 360.506 1.746 20 70 FDIDRO Cn1cnc(-c2ccc(NC(=O)NCCCC[NH+]3CCN(C)CC3)cc2)n1 ZINC000161162624 525046717 /nfs/dbraw/zinc/04/67/17/525046717.db2.gz BQORPVLQWNUTGC-UHFFFAOYSA-N 1 0 371.489 1.631 20 70 FDIDRO Cc1c(C(=O)NCCN2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000161177670 525050815 /nfs/dbraw/zinc/05/08/15/525050815.db2.gz CEGBXCWQLIQJGG-UHFFFAOYSA-N 1 0 355.486 1.775 20 70 FDIDRO COc1ccccc1[C@H](CNC(=O)C1(NC(N)=O)CC1)[NH+]1CCCCC1 ZINC000161288106 525072710 /nfs/dbraw/zinc/07/27/10/525072710.db2.gz BSUCFTJGBQFUGZ-HNNXBMFYSA-N 1 0 360.458 1.539 20 70 FDIDRO CCc1ccc([C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)[NH+](C)C)cc1 ZINC000161301599 525075372 /nfs/dbraw/zinc/07/53/72/525075372.db2.gz OCNFQEDVDIRBQP-KRWDZBQOSA-N 1 0 356.470 1.992 20 70 FDIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000161306273 525075919 /nfs/dbraw/zinc/07/59/19/525075919.db2.gz FLEZXYRMTBALQE-UHFFFAOYSA-N 1 0 370.515 1.127 20 70 FDIDRO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000161368145 525090137 /nfs/dbraw/zinc/09/01/37/525090137.db2.gz OWOITVWXLAJBKL-JLTOFOAXSA-N 1 0 359.470 1.911 20 70 FDIDRO CCn1c(=O)[nH]c2cc(C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)ccc2c1=O ZINC000161403196 525100593 /nfs/dbraw/zinc/10/05/93/525100593.db2.gz GAJXEFAFHLGDOA-BLLLJJGKSA-N 1 0 358.442 1.168 20 70 FDIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccc(Cl)cc1F ZINC000161414875 525103101 /nfs/dbraw/zinc/10/31/01/525103101.db2.gz SZRGZPWCRXEVGK-UHFFFAOYSA-N 1 0 350.843 1.462 20 70 FDIDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1nc(C)no1 ZINC000161460628 525114455 /nfs/dbraw/zinc/11/44/55/525114455.db2.gz CGDLWZHNSCDXIA-UHFFFAOYSA-N 1 0 374.445 1.850 20 70 FDIDRO Cc1ccc(Br)cc1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000161476964 525115759 /nfs/dbraw/zinc/11/57/59/525115759.db2.gz ZGHUTWNAPMQGNP-CYBMUJFWSA-N 1 0 365.293 1.348 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000161504306 525119689 /nfs/dbraw/zinc/11/96/89/525119689.db2.gz ASCOWVNAOXIZLF-GFCCVEGCSA-N 1 0 356.366 1.176 20 70 FDIDRO [NH3+]CCNC(=O)[C@H]1CCCN(c2ncc(Cl)cc2Br)C1 ZINC000159661809 173684963 /nfs/dbraw/zinc/68/49/63/173684963.db2.gz OYNMBFGSUFWMNP-VIFPVBQESA-N 1 0 361.671 1.789 20 70 FDIDRO C[C@H](NC(=O)C(C)(C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160199204 173702975 /nfs/dbraw/zinc/70/29/75/173702975.db2.gz MQGRWSRWEYLYHR-IMJJTQAJSA-N 1 0 353.507 1.421 20 70 FDIDRO C[C@H]1Cc2cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc(Cl)c2O1 ZINC000161416582 173740122 /nfs/dbraw/zinc/74/01/22/173740122.db2.gz HSMZFIRHTNIXEF-BONVTDFDSA-N 1 0 362.879 1.254 20 70 FDIDRO C[N@@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)C[C@H]1CCC[C@@H]1O ZINC000159460088 524673980 /nfs/dbraw/zinc/67/39/80/524673980.db2.gz FCMNIXGTWBPWAO-CJNGLKHVSA-N 1 0 351.422 1.127 20 70 FDIDRO CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000159462779 524676963 /nfs/dbraw/zinc/67/69/63/524676963.db2.gz DWRTURMJWGRCIS-AWEZNQCLSA-N 1 0 360.458 1.079 20 70 FDIDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000159467131 524677383 /nfs/dbraw/zinc/67/73/83/524677383.db2.gz ORJVHMOJVFRLJT-UHFFFAOYSA-N 1 0 354.472 1.476 20 70 FDIDRO COc1ccc(CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1OC ZINC000159560910 524697865 /nfs/dbraw/zinc/69/78/65/524697865.db2.gz GKGUOJKUAVUJRE-PVAVHDDUSA-N 1 0 364.486 1.844 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)CC1 ZINC000159588683 524703881 /nfs/dbraw/zinc/70/38/81/524703881.db2.gz FQFFJZFBTNBHRE-UHFFFAOYSA-N 1 0 350.438 1.601 20 70 FDIDRO COc1ccc([C@H](C[NH2+]Cc2cn(C)nc2C)N2CCOCC2)cc1OC ZINC000159623501 524709640 /nfs/dbraw/zinc/70/96/40/524709640.db2.gz CDOANCBZDHNOIW-SFHVURJKSA-N 1 0 374.485 1.909 20 70 FDIDRO CC(C)Oc1cc(CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)ccn1 ZINC000159669622 524717267 /nfs/dbraw/zinc/71/72/67/524717267.db2.gz UNNAJDXUHJRVNR-INIZCTEOSA-N 1 0 363.506 1.552 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000159676298 524718692 /nfs/dbraw/zinc/71/86/92/524718692.db2.gz LTIJCYCGIZWGRW-OALUTQOASA-N 1 0 361.486 1.910 20 70 FDIDRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H](C)c2c(C)noc2C)CC1 ZINC000159677932 524719164 /nfs/dbraw/zinc/71/91/64/524719164.db2.gz KBLMFVUNTODDEX-HUUCEWRRSA-N 1 0 365.522 1.968 20 70 FDIDRO CNC(=O)COc1cccc(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000159701367 524723384 /nfs/dbraw/zinc/72/33/84/524723384.db2.gz WPPCQGOTTGCGSX-LJQANCHMSA-N 1 0 369.465 1.773 20 70 FDIDRO COC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C ZINC000159756908 524733240 /nfs/dbraw/zinc/73/32/40/524733240.db2.gz UUWSLSATICUNAZ-KRWDZBQOSA-N 1 0 356.488 1.468 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000159808616 524742426 /nfs/dbraw/zinc/74/24/26/524742426.db2.gz QKULWHTZWHXZCQ-CQSZACIVSA-N 1 0 368.503 1.393 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CCO1 ZINC000159842950 524751138 /nfs/dbraw/zinc/75/11/38/524751138.db2.gz CLFKQTKSTXNHTB-KRWDZBQOSA-N 1 0 361.490 1.544 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCCNC(=O)c2c(F)cccc2F)CC1 ZINC000159856992 524752518 /nfs/dbraw/zinc/75/25/18/524752518.db2.gz NLQPNCVLLUQAPN-UHFFFAOYSA-N 1 0 354.401 1.432 20 70 FDIDRO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159863615 524755057 /nfs/dbraw/zinc/75/50/57/524755057.db2.gz DKRBGTWDIZMDFE-CJNGLKHVSA-N 1 0 367.877 1.796 20 70 FDIDRO CC(C)[NH+](CCCNC(=O)N1CC[C@H](S(=O)(=O)NC2CC2)C1)C(C)C ZINC000159945038 524773429 /nfs/dbraw/zinc/77/34/29/524773429.db2.gz CHBOBCQFPORAOW-INIZCTEOSA-N 1 0 374.551 1.361 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000159975449 524779425 /nfs/dbraw/zinc/77/94/25/524779425.db2.gz BVXBFRJHWLXBOV-LBPRGKRZSA-N 1 0 350.444 1.965 20 70 FDIDRO [NH3+]CCCNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000159986574 524783250 /nfs/dbraw/zinc/78/32/50/524783250.db2.gz BFSPVIYNYCVKLB-UHFFFAOYSA-N 1 0 353.488 1.089 20 70 FDIDRO O=C(CCCc1ccc2c(c1)CC(=O)N2)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159993091 524784326 /nfs/dbraw/zinc/78/43/26/524784326.db2.gz ZVIXYPCOOYGKIU-QGZVFWFLSA-N 1 0 359.470 1.467 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC2CC[NH+](C)CC2)cnn1-c1ccccc1F ZINC000160014715 524788765 /nfs/dbraw/zinc/78/87/65/524788765.db2.gz CGAGFKNFSSSLDS-UHFFFAOYSA-N 1 0 359.405 1.469 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000160041289 524794039 /nfs/dbraw/zinc/79/40/39/524794039.db2.gz SLVXZBKJSDUCJO-BZSNNMDCSA-N 1 0 365.518 1.378 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(OCC(F)(F)F)n1 ZINC000160036515 524794164 /nfs/dbraw/zinc/79/41/64/524794164.db2.gz NWAXLNUBDISQDM-LBPRGKRZSA-N 1 0 361.364 1.599 20 70 FDIDRO C[NH+](C)CCCC1CCN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000160091054 524807450 /nfs/dbraw/zinc/80/74/50/524807450.db2.gz PDTFLVKQRKOZPH-UHFFFAOYSA-N 1 0 374.551 1.174 20 70 FDIDRO CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000160113383 524812626 /nfs/dbraw/zinc/81/26/26/524812626.db2.gz HJGCDKBQCKCALT-INIZCTEOSA-N 1 0 365.499 1.685 20 70 FDIDRO CCc1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cnn1-c1ccccn1 ZINC000160121285 524814484 /nfs/dbraw/zinc/81/44/84/524814484.db2.gz ORDASUKZOFZJPP-HNNXBMFYSA-N 1 0 357.458 1.406 20 70 FDIDRO Cc1ccc(CN2C[C@H](C(=O)NC[C@@H](O)C[NH+]3CCCCC3)CC2=O)cc1 ZINC000160132843 524816301 /nfs/dbraw/zinc/81/63/01/524816301.db2.gz KFQCEPDIIMAQLE-RTBURBONSA-N 1 0 373.497 1.307 20 70 FDIDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)C3(NC(N)=O)CC3)CC2)c1 ZINC000160161335 524823266 /nfs/dbraw/zinc/82/32/66/524823266.db2.gz VCYHWELWGSMYEB-UHFFFAOYSA-N 1 0 373.501 1.214 20 70 FDIDRO CNC(=O)[C@H]1CCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000160188434 524825821 /nfs/dbraw/zinc/82/58/21/524825821.db2.gz VOMANLDZXAQFMG-WMLDXEAASA-N 1 0 359.474 1.527 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCc2cccnc2OC)CC[N@@H+]1CCOC ZINC000160240110 524839294 /nfs/dbraw/zinc/83/92/94/524839294.db2.gz GUSLGDFHOLFFDT-MRXNPFEDSA-N 1 0 350.463 1.733 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Nc2cnccn2)c1 ZINC000160262081 524842847 /nfs/dbraw/zinc/84/28/47/524842847.db2.gz GVCVGVXVXVMINP-KRWDZBQOSA-N 1 0 355.442 1.797 20 70 FDIDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c1 ZINC000160297850 524851694 /nfs/dbraw/zinc/85/16/94/524851694.db2.gz BIPVBMPOWOUUEX-JSGCOSHPSA-N 1 0 373.457 1.925 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cn(-c2ccccc2Cl)nn1 ZINC000160297657 524852223 /nfs/dbraw/zinc/85/22/23/524852223.db2.gz FMVZXBXYSPOZRH-ZDUSSCGKSA-N 1 0 363.849 1.497 20 70 FDIDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000160293332 524852588 /nfs/dbraw/zinc/85/25/88/524852588.db2.gz BCPOPEMDDPPNIE-HZPDHXFCSA-N 1 0 370.501 1.599 20 70 FDIDRO CN(C)c1nc2cc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)ccc2o1 ZINC000160382927 524872859 /nfs/dbraw/zinc/87/28/59/524872859.db2.gz HREBMSXNUNUYMM-UHFFFAOYSA-N 1 0 361.446 1.536 20 70 FDIDRO COCCOc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000160382352 524873358 /nfs/dbraw/zinc/87/33/58/524873358.db2.gz LASVYGQPAYVPOL-INIZCTEOSA-N 1 0 363.502 1.915 20 70 FDIDRO COc1cccc(-c2nc(C)c(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)[nH]2)c1 ZINC000160427818 524886943 /nfs/dbraw/zinc/88/69/43/524886943.db2.gz XXLCBNGGZTXUDY-MRXNPFEDSA-N 1 0 372.469 1.970 20 70 FDIDRO COc1cc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)ccc1S(C)(=O)=O ZINC000160433787 524887767 /nfs/dbraw/zinc/88/77/67/524887767.db2.gz RVDXKQFFGJXBMS-SMDDNHRTSA-N 1 0 364.471 1.664 20 70 FDIDRO COCCC[NH+]1CCC(NC(=O)c2cnn(C3CCOCC3)c2C)CC1 ZINC000160469269 524896380 /nfs/dbraw/zinc/89/63/80/524896380.db2.gz UIFPIZAKLFETKM-UHFFFAOYSA-N 1 0 364.490 1.774 20 70 FDIDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2c(C)[nH]c(C(=O)OC)c2C)CC1 ZINC000160486638 524899606 /nfs/dbraw/zinc/89/96/06/524899606.db2.gz RRMYQRJODXDLSZ-CYBMUJFWSA-N 1 0 364.490 1.422 20 70 FDIDRO C[C@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)NC(=O)C1CCCCC1 ZINC000160511205 524906022 /nfs/dbraw/zinc/90/60/22/524906022.db2.gz GORMNUTVRHRIML-WBVHZDCISA-N 1 0 353.507 1.425 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCCc2c(C)nn(C)c2C)CC[N@@H+]1CCOC ZINC000160514807 524907068 /nfs/dbraw/zinc/90/70/68/524907068.db2.gz ZBSOULIJKVNKKU-KRWDZBQOSA-N 1 0 365.522 1.722 20 70 FDIDRO CC(=O)NCc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160531406 524910831 /nfs/dbraw/zinc/91/08/31/524910831.db2.gz SKAFQTWPJZCFAG-VQTJNVASSA-N 1 0 373.497 1.820 20 70 FDIDRO O=C(CNc1cccc(F)c1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000160557118 524914300 /nfs/dbraw/zinc/91/43/00/524914300.db2.gz HFPKUQFBZTUEEC-MOPGFXCFSA-N 1 0 357.429 1.989 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)C1 ZINC000160563820 524916130 /nfs/dbraw/zinc/91/61/30/524916130.db2.gz HPJJNDLDTUCDQI-ZFWWWQNUSA-N 1 0 365.861 1.774 20 70 FDIDRO O=C(Cc1n[nH]c2ccccc12)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000160640337 524934851 /nfs/dbraw/zinc/93/48/51/524934851.db2.gz NGVDYHSTDUEUPV-IAGOWNOFSA-N 1 0 364.449 1.857 20 70 FDIDRO CC(C)CC(=O)NCCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160687034 524949209 /nfs/dbraw/zinc/94/92/09/524949209.db2.gz BCLFVQIBHUSDDE-SJORKVTESA-N 1 0 353.507 1.423 20 70 FDIDRO CCc1[nH]c(C(=O)NCC2CC[NH+](CCO)CC2)c(C)c1C(=O)OC ZINC000160694127 524950048 /nfs/dbraw/zinc/95/00/48/524950048.db2.gz SSUIZDGLCDOLSQ-UHFFFAOYSA-N 1 0 351.447 1.106 20 70 FDIDRO CC(C)C(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160735091 524959579 /nfs/dbraw/zinc/95/95/79/524959579.db2.gz BFWVALRWFUANNH-IAGOWNOFSA-N 1 0 350.507 1.665 20 70 FDIDRO CC[C@H]([NH2+][C@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000160864827 524986620 /nfs/dbraw/zinc/98/66/20/524986620.db2.gz WHWAHYIEWZXCEG-WWGRRREGSA-N 1 0 356.463 1.806 20 70 FDIDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@@H]3CCc4ncnn4C3)C2)CC1 ZINC000161011517 525016726 /nfs/dbraw/zinc/01/67/26/525016726.db2.gz AXODFHGYUZOPKQ-IAGOWNOFSA-N 1 0 360.506 1.746 20 70 FDIDRO CCOC(=O)c1c(C)oc2nc(CN3[C@@H]4CC[C@H]3CC(O)C4)nc(N)c21 ZINC000161067209 525025750 /nfs/dbraw/zinc/02/57/50/525025750.db2.gz WODGBHWYOPLRHO-FOSCPWQOSA-N 1 0 360.414 1.778 20 70 FDIDRO CCCCN1CCc2ccc(NC(=O)C(=O)NC3CC[NH+](C)CC3)cc21 ZINC000161103242 525033075 /nfs/dbraw/zinc/03/30/75/525033075.db2.gz LVZUIECFKKTJJV-UHFFFAOYSA-N 1 0 358.486 1.998 20 70 FDIDRO CCC(CC)(C[NH3+])C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000161164446 525045427 /nfs/dbraw/zinc/04/54/27/525045427.db2.gz SDHVURWWYUBATR-UHFFFAOYSA-N 1 0 366.487 1.861 20 70 FDIDRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 ZINC000161164501 525046056 /nfs/dbraw/zinc/04/60/56/525046056.db2.gz PYMLTEMRMYQGTJ-KRWDZBQOSA-N 1 0 372.473 1.696 20 70 FDIDRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000161164262 525046274 /nfs/dbraw/zinc/04/62/74/525046274.db2.gz AVHUNYDFCCNEOY-IBGZPJMESA-N 1 0 356.426 1.116 20 70 FDIDRO CCc1ncc(NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000161188800 525049935 /nfs/dbraw/zinc/04/99/35/525049935.db2.gz RVTUCAZEZPSSMP-UHFFFAOYSA-N 1 0 368.485 1.978 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000161223715 525058781 /nfs/dbraw/zinc/05/87/81/525058781.db2.gz NPKXMVLVZFERAZ-JSGCOSHPSA-N 1 0 365.861 1.912 20 70 FDIDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000161251787 525064944 /nfs/dbraw/zinc/06/49/44/525064944.db2.gz QQJNVBOEZAFKPC-IAGOWNOFSA-N 1 0 351.516 1.866 20 70 FDIDRO CCC[C@H](C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[NH+](C)C ZINC000161252857 525065539 /nfs/dbraw/zinc/06/55/39/525065539.db2.gz NMTKBEDNKAGLGP-QGZVFWFLSA-N 1 0 367.515 1.391 20 70 FDIDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000161252055 525066138 /nfs/dbraw/zinc/06/61/38/525066138.db2.gz ZASAZNWNUBQEIJ-GJZGRUSLSA-N 1 0 357.545 1.927 20 70 FDIDRO Cc1c(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)cnn1-c1ccccc1F ZINC000161261905 525068043 /nfs/dbraw/zinc/06/80/43/525068043.db2.gz BDNZKDYOZZFSMK-UHFFFAOYSA-N 1 0 361.421 1.715 20 70 FDIDRO O=C(CN1CCC([C@@H](O)C(F)(F)F)CC1)NC(=O)NCc1ccco1 ZINC000161312230 525078174 /nfs/dbraw/zinc/07/81/74/525078174.db2.gz DXEXXUZPRJATRA-CYBMUJFWSA-N 1 0 363.336 1.241 20 70 FDIDRO Cc1ccc(Cl)cc1S(=O)(=O)N(CCOCCO)CC[NH+](C)C ZINC000161308830 525078970 /nfs/dbraw/zinc/07/89/70/525078970.db2.gz QXGDMEZQGOEXJO-UHFFFAOYSA-N 1 0 364.895 1.210 20 70 FDIDRO CC(C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000161320331 525080543 /nfs/dbraw/zinc/08/05/43/525080543.db2.gz DDGFXVULOJQZNZ-MRXNPFEDSA-N 1 0 361.490 1.812 20 70 FDIDRO Cc1c(NC(=O)C(=O)N2CCN(C)C[C@@H]2C(C)C)cnn1-c1ccccc1 ZINC000161332896 525082974 /nfs/dbraw/zinc/08/29/74/525082974.db2.gz XWIIVWCSFNCLMJ-GOSISDBHSA-N 1 0 369.469 1.918 20 70 FDIDRO O=C(CN1CCC([C@@H](O)C(F)(F)F)CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000161330414 525083446 /nfs/dbraw/zinc/08/34/46/525083446.db2.gz ARYQKGZPTBMNKF-WMLDXEAASA-N 1 0 372.387 1.742 20 70 FDIDRO COC(=O)[C@@H](CNC(=O)[C@H]1CCn2ccnc2C1)Cc1ccc(O)cc1 ZINC000161394559 525099737 /nfs/dbraw/zinc/09/97/37/525099737.db2.gz HCFZXAOBOCRYFM-LSDHHAIUSA-N 1 0 357.410 1.299 20 70 FDIDRO COc1c(C)cc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1C ZINC000161410963 525102412 /nfs/dbraw/zinc/10/24/12/525102412.db2.gz FLLAPSKPDLFHBW-UHFFFAOYSA-N 1 0 356.488 1.295 20 70 FDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000161456038 525111763 /nfs/dbraw/zinc/11/17/63/525111763.db2.gz IPJUFBQEVWPCOC-GFCCVEGCSA-N 1 0 362.442 1.678 20 70 FDIDRO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCC1([NH3+])CCCCC1)C2=O ZINC000159668692 173684522 /nfs/dbraw/zinc/68/45/22/173684522.db2.gz HZECWQITMKHIOG-ACJLOTCBSA-N 1 0 350.463 1.265 20 70 FDIDRO O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@@H]1CCC[NH2+]C1 ZINC000160135367 173699365 /nfs/dbraw/zinc/69/93/65/173699365.db2.gz MKJMHWCJYPUEKW-BXUZGUMPSA-N 1 0 371.359 1.806 20 70 FDIDRO CSC[C@H](CCO)[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000160234992 173703499 /nfs/dbraw/zinc/70/34/99/173703499.db2.gz HORDKDHUQHDDNU-INIZCTEOSA-N 1 0 372.556 1.852 20 70 FDIDRO CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000159362676 524650484 /nfs/dbraw/zinc/65/04/84/524650484.db2.gz MFJYANKCOOFPDS-ZWNOBZJWSA-N 1 0 355.385 1.883 20 70 FDIDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCc3sccc32)CC1 ZINC000159390232 524659905 /nfs/dbraw/zinc/65/99/05/524659905.db2.gz HHFPGQGNVXFGOP-CVEARBPZSA-N 1 0 361.511 1.933 20 70 FDIDRO CCc1nnc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)[nH]1 ZINC000159454512 524675348 /nfs/dbraw/zinc/67/53/48/524675348.db2.gz MXTYWDGAUJVBHI-UHFFFAOYSA-N 1 0 362.522 1.571 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000159474334 524679780 /nfs/dbraw/zinc/67/97/80/524679780.db2.gz PWNDJVBODJSOOK-IUVQAAGXSA-N 1 0 361.490 1.043 20 70 FDIDRO C[C@@H](O)C(=O)N1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000159492699 524683699 /nfs/dbraw/zinc/68/36/99/524683699.db2.gz MYSVRCZJGPEKDV-QGZVFWFLSA-N 1 0 373.497 1.340 20 70 FDIDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccnc(Cl)c3F)cn2)CC1 ZINC000159509230 524687519 /nfs/dbraw/zinc/68/75/19/524687519.db2.gz JHIYHKPTLDUQNU-UHFFFAOYSA-N 1 0 363.824 1.951 20 70 FDIDRO Cc1cc(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)n(-c2nc(C)cc(C)n2)n1 ZINC000159551966 524694296 /nfs/dbraw/zinc/69/42/96/524694296.db2.gz HFPGXYYVUITTBL-CVEARBPZSA-N 1 0 372.473 1.619 20 70 FDIDRO C[N@@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)C[C@H]1CCC[C@@H]1O ZINC000159573129 524699327 /nfs/dbraw/zinc/69/93/27/524699327.db2.gz KEXPLHZBPZFJPY-ABAIWWIYSA-N 1 0 364.837 1.347 20 70 FDIDRO C[C@H](CNC(=O)NCCOc1ccccc1Cl)C[NH+]1CCN(C)CC1 ZINC000159668240 524716410 /nfs/dbraw/zinc/71/64/10/524716410.db2.gz XDNGPOBOBHDNHR-OAHLLOKOSA-N 1 0 368.909 1.902 20 70 FDIDRO COCCC[N@H+](C)CCNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159685205 524720514 /nfs/dbraw/zinc/72/05/14/524720514.db2.gz RQYKZXMYOJRGOU-NSHDSACASA-N 1 0 362.396 1.618 20 70 FDIDRO CCNS(=O)(=O)c1ccc(CNC(=O)N(CC[NH+](C)C)C(C)C)cc1 ZINC000159719034 524726385 /nfs/dbraw/zinc/72/63/85/524726385.db2.gz HEQLZKVKCAROKQ-UHFFFAOYSA-N 1 0 370.519 1.466 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000159731944 524728796 /nfs/dbraw/zinc/72/87/96/524728796.db2.gz MAVBDKDXHOCTLF-AWEZNQCLSA-N 1 0 368.503 1.393 20 70 FDIDRO CC[C@@H](CO)[NH+]1CCN([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000159741795 524729214 /nfs/dbraw/zinc/72/92/14/524729214.db2.gz JCYJVLYPZXJBNN-GUYCJALGSA-N 1 0 369.868 1.973 20 70 FDIDRO O=C(CN1CCN(Cc2ccccc2)CC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159756039 524732577 /nfs/dbraw/zinc/73/25/77/524732577.db2.gz CMNOIOHALMNPSP-UHFFFAOYSA-N 1 0 370.541 1.795 20 70 FDIDRO NC(=O)CC1CC[NH+](Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000159799329 524741118 /nfs/dbraw/zinc/74/11/18/524741118.db2.gz KIOSJHONRRPZPW-UHFFFAOYSA-N 1 0 359.470 1.679 20 70 FDIDRO CC[C@@H](NC(=O)N1CCC[N@H+](CC)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000159822065 524745428 /nfs/dbraw/zinc/74/54/28/524745428.db2.gz GTOMDXNGKSSOOC-MRXNPFEDSA-N 1 0 368.503 1.522 20 70 FDIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000159826987 524747055 /nfs/dbraw/zinc/74/70/55/524747055.db2.gz UMRAMSQVCJBWIO-NVXWUHKLSA-N 1 0 362.449 1.913 20 70 FDIDRO Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)no1 ZINC000159840993 524750470 /nfs/dbraw/zinc/75/04/70/524750470.db2.gz UMEZTGHSBLRYBL-HNNXBMFYSA-N 1 0 359.430 1.394 20 70 FDIDRO C[C@@H](CCNC(=O)C1CC2(C1)NC(=O)NC2=O)[N@H+](C)Cc1ccccc1 ZINC000159860892 524756274 /nfs/dbraw/zinc/75/62/74/524756274.db2.gz LVNHKALUANHFHC-XIWWETDGSA-N 1 0 358.442 1.001 20 70 FDIDRO CCn1cc(C(=O)C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)cn1 ZINC000159911863 524765578 /nfs/dbraw/zinc/76/55/78/524765578.db2.gz CYSVDCRCJPQUNC-OAHLLOKOSA-N 1 0 370.453 1.623 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)CC1 ZINC000159963572 524776873 /nfs/dbraw/zinc/77/68/73/524776873.db2.gz NSQFIRMRYUINPO-UHFFFAOYSA-N 1 0 358.446 1.513 20 70 FDIDRO CSC[C@@](C)(O)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159976139 524780756 /nfs/dbraw/zinc/78/07/56/524780756.db2.gz PQOLZVSOFJXZHE-ZVZYQTTQSA-N 1 0 351.516 1.920 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000159991624 524784742 /nfs/dbraw/zinc/78/47/42/524784742.db2.gz BQITUDKCKSXRDQ-KRWDZBQOSA-N 1 0 350.507 1.905 20 70 FDIDRO [NH3+]CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000160007032 524788005 /nfs/dbraw/zinc/78/80/05/524788005.db2.gz HKQPFLKIXMAWSM-GFCCVEGCSA-N 1 0 355.385 1.605 20 70 FDIDRO [NH3+]CCCNC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000160006915 524788034 /nfs/dbraw/zinc/78/80/34/524788034.db2.gz HKQPFLKIXMAWSM-LBPRGKRZSA-N 1 0 355.385 1.605 20 70 FDIDRO CNC(=O)Cn1cc(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000160061094 524799533 /nfs/dbraw/zinc/79/95/33/524799533.db2.gz HDGCMBGEZYIUMD-HOCLYGCPSA-N 1 0 370.457 1.414 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000160102654 524810719 /nfs/dbraw/zinc/81/07/19/524810719.db2.gz FOUOCWAIAMXKOW-HKUYNNGSSA-N 1 0 362.470 1.821 20 70 FDIDRO Cc1c(CNC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cnn1C ZINC000160144021 524819131 /nfs/dbraw/zinc/81/91/31/524819131.db2.gz BLTAVHAZATVBNQ-UHFFFAOYSA-N 1 0 370.501 1.475 20 70 FDIDRO CC1(C)Cc2cccc(OCC(=O)NC[C@@H](O)C[NH+]3CCCCC3)c2O1 ZINC000160153027 524820825 /nfs/dbraw/zinc/82/08/25/524820825.db2.gz MTQAEOSITWVYRB-MRXNPFEDSA-N 1 0 362.470 1.742 20 70 FDIDRO CSc1nc(C)c(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)n1 ZINC000160170515 524824007 /nfs/dbraw/zinc/82/40/07/524824007.db2.gz RBVDDWHCVOCFGG-OAHLLOKOSA-N 1 0 366.531 1.711 20 70 FDIDRO COc1ccc(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160269198 524844857 /nfs/dbraw/zinc/84/48/57/524844857.db2.gz LDJYDICUMNIIDY-MOPGFXCFSA-N 1 0 362.470 1.958 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160283659 524847558 /nfs/dbraw/zinc/84/75/58/524847558.db2.gz ISIHLNXRXAPJOB-XQQFMLRXSA-N 1 0 350.463 1.967 20 70 FDIDRO CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160344539 524862008 /nfs/dbraw/zinc/86/20/08/524862008.db2.gz YFZFESUFSJWNFJ-HNNXBMFYSA-N 1 0 367.515 1.602 20 70 FDIDRO Cc1cccc(N2N=C(C(=O)NC[C@H](O)C[NH+]3CCCCC3)CCC2=O)c1 ZINC000160339663 524863606 /nfs/dbraw/zinc/86/36/06/524863606.db2.gz PBEPHAHHONXDEC-KRWDZBQOSA-N 1 0 372.469 1.441 20 70 FDIDRO CCC[N@@H+]1CCCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000160367951 524869334 /nfs/dbraw/zinc/86/93/34/524869334.db2.gz AEFOTNIJVJFZHR-UHFFFAOYSA-N 1 0 367.251 1.445 20 70 FDIDRO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000160395010 524877460 /nfs/dbraw/zinc/87/74/60/524877460.db2.gz OTTOAJVGECOYIV-GJZGRUSLSA-N 1 0 351.834 1.330 20 70 FDIDRO O=C(CCN1C(=O)CCc2ccccc21)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160468003 524896650 /nfs/dbraw/zinc/89/66/50/524896650.db2.gz BAOYRYAABVEGIW-QGZVFWFLSA-N 1 0 359.470 1.319 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000160491138 524901481 /nfs/dbraw/zinc/90/14/81/524901481.db2.gz DXWDHVCODHFDSW-JTQLQIEISA-N 1 0 361.261 1.287 20 70 FDIDRO C[C@@H](NC(=O)c1ccoc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160512849 524905311 /nfs/dbraw/zinc/90/53/11/524905311.db2.gz VBDIBNFRSFMRRX-COXVUDFISA-N 1 0 363.458 1.282 20 70 FDIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000160566739 524919326 /nfs/dbraw/zinc/91/93/26/524919326.db2.gz YWIZASVNQYVMLQ-SECBINFHSA-N 1 0 353.366 1.387 20 70 FDIDRO COc1ccccc1-c1nn(C)cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160583789 524923543 /nfs/dbraw/zinc/92/35/43/524923543.db2.gz MPPVOIGRLGKTAP-OAHLLOKOSA-N 1 0 372.469 1.672 20 70 FDIDRO CC(C)NC(=O)Nc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160584387 524923612 /nfs/dbraw/zinc/92/36/12/524923612.db2.gz OPEJKWPJPBIJNE-UHFFFAOYSA-N 1 0 362.474 1.651 20 70 FDIDRO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cccc1N1CCNC1=O ZINC000160585342 524923684 /nfs/dbraw/zinc/92/36/84/524923684.db2.gz QIRNSSGHULXWIN-OAHLLOKOSA-N 1 0 360.458 1.101 20 70 FDIDRO O=C(Cc1n[nH]c2ccccc12)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000160640459 524935412 /nfs/dbraw/zinc/93/54/12/524935412.db2.gz NGVDYHSTDUEUPV-SJORKVTESA-N 1 0 364.449 1.857 20 70 FDIDRO O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160705685 524953510 /nfs/dbraw/zinc/95/35/10/524953510.db2.gz SQANNJAHEHSUEB-UONOGXRCSA-N 1 0 369.412 1.488 20 70 FDIDRO CC(C)NS(=O)(=O)[C@H]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000160720908 524956552 /nfs/dbraw/zinc/95/65/52/524956552.db2.gz QSKVXYVNBLOTNR-KRWDZBQOSA-N 1 0 357.495 1.660 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(-n2cccn2)n1 ZINC000160763935 524966481 /nfs/dbraw/zinc/96/64/81/524966481.db2.gz BNMREUDTWASMOW-ZWKOTPCHSA-N 1 0 369.469 1.765 20 70 FDIDRO Cc1c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cccc1S(N)(=O)=O ZINC000160769037 524967089 /nfs/dbraw/zinc/96/70/89/524967089.db2.gz BVQQDULZSTUODV-ZFWWWQNUSA-N 1 0 351.472 1.199 20 70 FDIDRO CCOC(=O)c1sc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)nc1C ZINC000160782166 524970909 /nfs/dbraw/zinc/97/09/09/524970909.db2.gz ZSZMQRGRVPKFJF-ZDUSSCGKSA-N 1 0 366.487 1.547 20 70 FDIDRO CC[C@@H](C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)[NH+](C)C ZINC000160808810 524975237 /nfs/dbraw/zinc/97/52/37/524975237.db2.gz RICUMOGYCFCTIU-INIZCTEOSA-N 1 0 366.893 1.445 20 70 FDIDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000160846285 524982652 /nfs/dbraw/zinc/98/26/52/524982652.db2.gz FPXUTEAKRHVXDC-CQSZACIVSA-N 1 0 371.507 1.294 20 70 FDIDRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1[NH2+]CCc3ccccc31)CC2 ZINC000160882924 524987525 /nfs/dbraw/zinc/98/75/25/524987525.db2.gz LAEFZCYESMBQRY-SFHVURJKSA-N 1 0 371.462 1.371 20 70 FDIDRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1[NH2+]CCc3ccccc31)CC2 ZINC000160883048 524988781 /nfs/dbraw/zinc/98/87/81/524988781.db2.gz LAEFZCYESMBQRY-GOSISDBHSA-N 1 0 371.462 1.371 20 70 FDIDRO Cc1nnnn1-c1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000160938136 524999648 /nfs/dbraw/zinc/99/96/48/524999648.db2.gz LKNJEIVOLVARDH-PBHICJAKSA-N 1 0 355.446 1.919 20 70 FDIDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccnc3c(C(N)=O)cnn32)CC1 ZINC000160990852 525011052 /nfs/dbraw/zinc/01/10/52/525011052.db2.gz OWGKVCJYWQNQHE-UHFFFAOYSA-N 1 0 372.473 1.412 20 70 FDIDRO COc1cccc(N2CCC[C@H](NC(=O)[C@@H]([NH3+])Cc3ccccc3)C2=O)c1 ZINC000161093450 525032927 /nfs/dbraw/zinc/03/29/27/525032927.db2.gz MEDHTMYCGVWUOS-OALUTQOASA-N 1 0 367.449 1.877 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCO2)CC1 ZINC000161106509 525035615 /nfs/dbraw/zinc/03/56/15/525035615.db2.gz YJIKXBPDKXKSCM-DLBZAZTESA-N 1 0 351.491 1.395 20 70 FDIDRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000161252099 525067141 /nfs/dbraw/zinc/06/71/41/525067141.db2.gz HCUDBZLXJCBZJV-KRWDZBQOSA-N 1 0 361.486 1.821 20 70 FDIDRO CCC(CC)(C[NH3+])C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000161279301 525073201 /nfs/dbraw/zinc/07/32/01/525073201.db2.gz QTQLSWYLWJVBDB-UHFFFAOYSA-N 1 0 360.502 1.607 20 70 FDIDRO C[C@@H]1C[C@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C(=O)N1c1ccccc1 ZINC000161309444 525077625 /nfs/dbraw/zinc/07/76/25/525077625.db2.gz VFJSWCQPWLRYFB-CJNGLKHVSA-N 1 0 368.441 1.126 20 70 FDIDRO COC(=O)[C@H](CNC(=O)[C@H]1CCn2ccnc2C1)Cc1ccc(O)cc1 ZINC000161394434 525098792 /nfs/dbraw/zinc/09/87/92/525098792.db2.gz HCFZXAOBOCRYFM-GJZGRUSLSA-N 1 0 357.410 1.299 20 70 FDIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1c(Cl)cccc1Cl ZINC000161389625 525099433 /nfs/dbraw/zinc/09/94/33/525099433.db2.gz LBKRALOLBZEQTA-UHFFFAOYSA-N 1 0 367.298 1.976 20 70 FDIDRO C[C@]1(c2cccc(C(=O)NC3CC[NH+](C4CC4)CC3)c2)NC(=O)NC1=O ZINC000161404505 525100841 /nfs/dbraw/zinc/10/08/41/525100841.db2.gz VTFHTGYJGWREBF-LJQANCHMSA-N 1 0 356.426 1.098 20 70 FDIDRO Cc1cc(C)c(C)c(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c1C ZINC000161411540 525103432 /nfs/dbraw/zinc/10/34/32/525103432.db2.gz CCJXXIHFOOTTAF-UHFFFAOYSA-N 1 0 354.516 1.903 20 70 FDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000161420518 525105354 /nfs/dbraw/zinc/10/53/54/525105354.db2.gz YPTCBJQATFTULD-LBPRGKRZSA-N 1 0 356.366 1.176 20 70 FDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000161444755 525110353 /nfs/dbraw/zinc/11/03/53/525110353.db2.gz JBILJQUAVWRAJK-LBPRGKRZSA-N 1 0 374.812 1.950 20 70 FDIDRO Cc1ccc(F)c(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000161458349 525111946 /nfs/dbraw/zinc/11/19/46/525111946.db2.gz BCFNIPUHLPTRAG-AWEZNQCLSA-N 1 0 358.479 1.847 20 70 FDIDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000161504450 525119529 /nfs/dbraw/zinc/11/95/29/525119529.db2.gz OKBMGQZEDWVMBX-CQSZACIVSA-N 1 0 357.462 1.240 20 70 FDIDRO Cc1cc(S(N)(=O)=O)cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1C ZINC000159377507 173675094 /nfs/dbraw/zinc/67/50/94/173675094.db2.gz MVRVDSIRLHAJRZ-GFCCVEGCSA-N 1 0 353.488 1.413 20 70 FDIDRO Cc1ccc(NC(=O)CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(C)c1 ZINC000159427027 524668060 /nfs/dbraw/zinc/66/80/60/524668060.db2.gz DCNGOWTWPSNGEP-SFHVURJKSA-N 1 0 358.486 1.656 20 70 FDIDRO COc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000159444211 524671887 /nfs/dbraw/zinc/67/18/87/524671887.db2.gz GHOYRFDFNHZQDV-CYBMUJFWSA-N 1 0 351.422 1.867 20 70 FDIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)CN1CCOCC1 ZINC000159458474 524674925 /nfs/dbraw/zinc/67/49/25/524674925.db2.gz MRYSBZCSHRQYLA-MSOLQXFVSA-N 1 0 354.539 1.909 20 70 FDIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000159484924 524681563 /nfs/dbraw/zinc/68/15/63/524681563.db2.gz KAXRXGUDHNBHPN-INIZCTEOSA-N 1 0 370.453 1.414 20 70 FDIDRO CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000159531782 524690464 /nfs/dbraw/zinc/69/04/64/524690464.db2.gz DFBDJMMVHHFGCU-BPUTZDHNSA-N 1 0 357.520 1.180 20 70 FDIDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCc2cscn2)CC1 ZINC000159562805 524698039 /nfs/dbraw/zinc/69/80/39/524698039.db2.gz BVQDFPGVZLFLKN-HZPDHXFCSA-N 1 0 365.547 1.886 20 70 FDIDRO O=C(CCNC(=O)c1ccco1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000159572444 524700008 /nfs/dbraw/zinc/70/00/08/524700008.db2.gz CPLQIGNLOJYUBU-MRXNPFEDSA-N 1 0 363.458 1.503 20 70 FDIDRO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159599013 524705577 /nfs/dbraw/zinc/70/55/77/524705577.db2.gz WBVXXQMMJCWEFM-BBWFWOEESA-N 1 0 362.470 1.768 20 70 FDIDRO Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1-n1cnnn1 ZINC000159604359 524705719 /nfs/dbraw/zinc/70/57/19/524705719.db2.gz GISKJJSLEIYRIV-YOEHRIQHSA-N 1 0 355.446 1.919 20 70 FDIDRO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159628078 524710372 /nfs/dbraw/zinc/71/03/72/524710372.db2.gz RHHNCQHJHPDLOZ-ZQIUZPCESA-N 1 0 350.459 1.974 20 70 FDIDRO C[C@H](NC(=O)CNC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccc(F)cc1 ZINC000159669986 524717780 /nfs/dbraw/zinc/71/77/80/524717780.db2.gz LCEXUUDFORNCOT-QRTARXTBSA-N 1 0 365.449 1.212 20 70 FDIDRO C[NH+](C)CC(=O)N1CCN(C(=O)Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000159680086 524719063 /nfs/dbraw/zinc/71/90/63/524719063.db2.gz DQPRECDFDLMZHY-UHFFFAOYSA-N 1 0 362.861 1.596 20 70 FDIDRO C[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)C[C@@H]1CCC[C@@H]1O ZINC000159741897 524728566 /nfs/dbraw/zinc/72/85/66/524728566.db2.gz QZXQJXQEYCXTPX-HKUYNNGSSA-N 1 0 360.498 1.944 20 70 FDIDRO C[NH+](C)CCN1CCC(NC(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000159734267 524729694 /nfs/dbraw/zinc/72/96/94/524729694.db2.gz RJUQFTDVQOEKBQ-HNNXBMFYSA-N 1 0 364.494 1.067 20 70 FDIDRO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCCS2(=O)=O)c1 ZINC000159864247 524755380 /nfs/dbraw/zinc/75/53/80/524755380.db2.gz NVUFUEHGIYFBLE-MRXNPFEDSA-N 1 0 353.488 1.515 20 70 FDIDRO CC(C)C(=O)NCCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000159886413 524760363 /nfs/dbraw/zinc/76/03/63/524760363.db2.gz SFWLULNMNPXTPR-UHFFFAOYSA-N 1 0 361.490 1.712 20 70 FDIDRO COCCNC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159905613 524763927 /nfs/dbraw/zinc/76/39/27/524763927.db2.gz NFQMNGDXWPDKDX-MRXNPFEDSA-N 1 0 371.441 1.031 20 70 FDIDRO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000159945505 524773405 /nfs/dbraw/zinc/77/34/05/524773405.db2.gz WHRPWJNUZDCEGW-JCGIZDLHSA-N 1 0 359.470 1.858 20 70 FDIDRO CCOc1ccc2c(c1)C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)CO2 ZINC000159942222 524773713 /nfs/dbraw/zinc/77/37/13/524773713.db2.gz WQTDHZYVRNIMBY-DLBZAZTESA-N 1 0 362.470 1.599 20 70 FDIDRO Cn1c2cc(C(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)ccc2[nH]c1=O ZINC000159994586 524784944 /nfs/dbraw/zinc/78/49/44/524784944.db2.gz MBWMUELSFYXMEV-INIZCTEOSA-N 1 0 352.438 1.769 20 70 FDIDRO O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159991635 524785214 /nfs/dbraw/zinc/78/52/14/524785214.db2.gz NMVDNCHIUYGICW-MOPGFXCFSA-N 1 0 373.497 1.183 20 70 FDIDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(S(N)(=O)=O)cc(C)c1C ZINC000160001844 524785585 /nfs/dbraw/zinc/78/55/85/524785585.db2.gz JFFWWXPHMPHGFK-CQSZACIVSA-N 1 0 353.488 1.507 20 70 FDIDRO CN(C)C(=O)CN1CCCN(C(=O)[C@@]2(C)CCCc3ccccc32)CC1 ZINC000160031553 524792064 /nfs/dbraw/zinc/79/20/64/524792064.db2.gz BMOMTDIMVGLOPC-NRFANRHFSA-N 1 0 357.498 1.903 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000160043121 524794094 /nfs/dbraw/zinc/79/40/94/524794094.db2.gz OWBWFSMJXQDFSU-UYAOXDASSA-N 1 0 373.497 1.703 20 70 FDIDRO C[C@@](O)(C[NH2+]C1CCN(CCN2CCOCC2)CC1)c1ccsc1 ZINC000160059890 524799872 /nfs/dbraw/zinc/79/98/72/524799872.db2.gz RJDHBRGUDZQNGX-GOSISDBHSA-N 1 0 353.532 1.342 20 70 FDIDRO Cc1c(CNC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cnn1C ZINC000160066791 524800793 /nfs/dbraw/zinc/80/07/93/524800793.db2.gz OBMNBWJJKLPFDB-UHFFFAOYSA-N 1 0 370.501 1.346 20 70 FDIDRO C[C@@H]1C[NH+](CCCNC(=O)N2CCCN(CC(F)F)CC2)C[C@@H](C)O1 ZINC000160109215 524810134 /nfs/dbraw/zinc/81/01/34/524810134.db2.gz ZIXWGKRFZCIFEE-HUUCEWRRSA-N 1 0 362.465 1.468 20 70 FDIDRO Cc1cc(C(=O)NCCC[NH3+])cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000160136522 524816162 /nfs/dbraw/zinc/81/61/62/524816162.db2.gz AUDXXKRJXGKGTI-UHFFFAOYSA-N 1 0 367.515 1.803 20 70 FDIDRO O=C(CCc1nc(C2CCCC2)no1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160199710 524828764 /nfs/dbraw/zinc/82/87/64/524828764.db2.gz MKVFBDFFNLJIAT-OAHLLOKOSA-N 1 0 350.463 1.623 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000160233678 524836391 /nfs/dbraw/zinc/83/63/91/524836391.db2.gz HGLXEXCHQDWPKW-MSOLQXFVSA-N 1 0 374.485 1.039 20 70 FDIDRO Cc1c(CNC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cnn1C ZINC000160252259 524840490 /nfs/dbraw/zinc/84/04/90/524840490.db2.gz CEIYGTUSYQLQFQ-UHFFFAOYSA-N 1 0 370.501 1.740 20 70 FDIDRO C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCC[C@@H]3C[NH3+])n(C)c2)C1 ZINC000160259404 524843450 /nfs/dbraw/zinc/84/34/50/524843450.db2.gz FZGITHQAJKIRIV-ZIAGYGMSSA-N 1 0 368.503 1.009 20 70 FDIDRO CC(C)CC(=O)NCCC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000160285499 524849205 /nfs/dbraw/zinc/84/92/05/524849205.db2.gz OFLUETUMMLUWAP-UHFFFAOYSA-N 1 0 374.529 1.867 20 70 FDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000160293274 524851737 /nfs/dbraw/zinc/85/17/37/524851737.db2.gz GBPLONRCTIZCLJ-MRXNPFEDSA-N 1 0 367.515 1.787 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCc2cccc(C(N)=O)c2)CC[N@@H+]1CCOC ZINC000160333439 524859870 /nfs/dbraw/zinc/85/98/70/524859870.db2.gz QOMQLYJTMLTAIJ-QGZVFWFLSA-N 1 0 362.474 1.428 20 70 FDIDRO O=C(CNC(=O)c1ccsc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160356894 524867864 /nfs/dbraw/zinc/86/78/64/524867864.db2.gz ZIKGPFOIFARCMR-HZPDHXFCSA-N 1 0 365.499 1.362 20 70 FDIDRO COCC[C@H](Cc1cccc(F)c1)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160374968 524872301 /nfs/dbraw/zinc/87/23/01/524872301.db2.gz PFPOYYUYNCJVIX-LJQANCHMSA-N 1 0 365.493 1.916 20 70 FDIDRO Cn1nnc2cc(C(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)ccc21 ZINC000160557180 524914488 /nfs/dbraw/zinc/91/44/88/524914488.db2.gz KPQBTFGMUNMBNR-ZWKOTPCHSA-N 1 0 357.458 1.466 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(OCC(F)(F)F)nc1 ZINC000160549863 524914707 /nfs/dbraw/zinc/91/47/07/524914707.db2.gz LIDPVESHEMFWMD-UHFFFAOYSA-N 1 0 361.364 1.457 20 70 FDIDRO CCN(Cc1ccc(OCc2noc(C)n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160579234 524921080 /nfs/dbraw/zinc/92/10/80/524921080.db2.gz DLUQDUTUTAMKJT-OAHLLOKOSA-N 1 0 365.455 1.966 20 70 FDIDRO O=C(CNC(=O)CC1CCCC1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160585492 524923243 /nfs/dbraw/zinc/92/32/43/524923243.db2.gz SDKATIPYJQRFPM-ZWKOTPCHSA-N 1 0 365.518 1.567 20 70 FDIDRO O=C(CNC(=O)CC1CCCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160585175 524923320 /nfs/dbraw/zinc/92/33/20/524923320.db2.gz SDKATIPYJQRFPM-MSOLQXFVSA-N 1 0 365.518 1.567 20 70 FDIDRO O=C(C[C@@H]1C[NH2+]CCO1)NCC1(c2ccccc2Br)CC1 ZINC000160595043 524924580 /nfs/dbraw/zinc/92/45/80/524924580.db2.gz HERITWOVSKXRFP-GFCCVEGCSA-N 1 0 353.260 1.975 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 ZINC000160604932 524927923 /nfs/dbraw/zinc/92/79/23/524927923.db2.gz UCPZUUKGYORYOQ-CQSZACIVSA-N 1 0 351.397 1.637 20 70 FDIDRO COc1cc(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc(OC)c1 ZINC000160620586 524932418 /nfs/dbraw/zinc/93/24/18/524932418.db2.gz BQHMGYIFQFJTJD-MRXNPFEDSA-N 1 0 350.459 1.599 20 70 FDIDRO COc1ccc(-n2c(NC(=O)[C@H]3C[NH2+]CCO3)nc3ccccc32)cc1 ZINC000160633350 524933270 /nfs/dbraw/zinc/93/32/70/524933270.db2.gz MZUMZCJBSYCWNR-QGZVFWFLSA-N 1 0 352.394 1.961 20 70 FDIDRO CC(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160639817 524935840 /nfs/dbraw/zinc/93/58/40/524935840.db2.gz QMRUQOWDCKOVGR-INIZCTEOSA-N 1 0 368.499 1.445 20 70 FDIDRO CCS(=O)(=O)c1cccc(CC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 ZINC000160638703 524936136 /nfs/dbraw/zinc/93/61/36/524936136.db2.gz NKXJUOQPPGFGGC-JKSUJKDBSA-N 1 0 350.484 1.718 20 70 FDIDRO O=C(CN1CCOc2ccc(Cl)cc21)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160661647 524940163 /nfs/dbraw/zinc/94/01/63/524940163.db2.gz JAAAXPDSECWYMY-HNNXBMFYSA-N 1 0 367.877 1.502 20 70 FDIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000160729612 524958630 /nfs/dbraw/zinc/95/86/30/524958630.db2.gz RYNISFWVCDJCHI-CYBMUJFWSA-N 1 0 366.403 1.698 20 70 FDIDRO Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000160755063 524964822 /nfs/dbraw/zinc/96/48/22/524964822.db2.gz NKABITPFWJRSMK-JSGCOSHPSA-N 1 0 367.515 1.801 20 70 FDIDRO CC1CC[NH+](C[C@@H](O)CNC(=O)CCc2nc(C3CCCC3)no2)CC1 ZINC000160775564 524967613 /nfs/dbraw/zinc/96/76/13/524967613.db2.gz UTDAJYUOEUZVNN-INIZCTEOSA-N 1 0 364.490 1.869 20 70 FDIDRO Cc1cc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)nc(-c2ccncc2)n1 ZINC000160794559 524971909 /nfs/dbraw/zinc/97/19/09/524971909.db2.gz DPJAQCQAFYQYMG-KRWDZBQOSA-N 1 0 366.469 1.766 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)C1 ZINC000160806021 524974805 /nfs/dbraw/zinc/97/48/05/524974805.db2.gz IXPRSWGKDWITRQ-GOSISDBHSA-N 1 0 358.486 1.771 20 70 FDIDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 ZINC000160816577 524977479 /nfs/dbraw/zinc/97/74/79/524977479.db2.gz JEOUGHCEPYTIBD-CYBMUJFWSA-N 1 0 369.487 1.619 20 70 FDIDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)CCC(=O)OCc2ccccc2)CC[N@@H+]1C ZINC000160843055 524981573 /nfs/dbraw/zinc/98/15/73/524981573.db2.gz VIMHQJCFPAKNJS-NVXWUHKLSA-N 1 0 368.499 1.864 20 70 FDIDRO CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCC[NH2+]CC1 ZINC000160845438 524981771 /nfs/dbraw/zinc/98/17/71/524981771.db2.gz JQKWXMYFTKYJEX-GJZGRUSLSA-N 1 0 368.522 1.034 20 70 FDIDRO CN(C)c1nc2cc(NC(=O)C(=O)NCCC3CC[NH+](C)CC3)ccc2o1 ZINC000160917965 524995826 /nfs/dbraw/zinc/99/58/26/524995826.db2.gz GYNZECXHJLNBIG-UHFFFAOYSA-N 1 0 373.457 1.680 20 70 FDIDRO Cc1nc(CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)sc1C ZINC000160942050 525000953 /nfs/dbraw/zinc/00/09/53/525000953.db2.gz GKFVBQRFZIGRTB-UHFFFAOYSA-N 1 0 353.536 1.628 20 70 FDIDRO CO[C@H]1CCN(C(=O)c2ccc(I)cc2)[C@@H](C[NH3+])C1 ZINC000161078833 525027774 /nfs/dbraw/zinc/02/77/74/525027774.db2.gz LISMXPQVMKNYKX-OLZOCXBDSA-N 1 0 374.222 1.870 20 70 FDIDRO COCCN(CCOC)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161241259 525062541 /nfs/dbraw/zinc/06/25/41/525062541.db2.gz IHCONRNOWXGHPZ-MRXNPFEDSA-N 1 0 364.490 1.911 20 70 FDIDRO CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000161255819 525066090 /nfs/dbraw/zinc/06/60/90/525066090.db2.gz LAANKARNZWEXEL-YJBOKZPZSA-N 1 0 359.470 1.439 20 70 FDIDRO CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000161256337 525067289 /nfs/dbraw/zinc/06/72/89/525067289.db2.gz IFLPPFKSDNOERB-FUHWJXTLSA-N 1 0 373.497 1.687 20 70 FDIDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)[C@H]1CC[NH2+]C1 ZINC000161292567 525074189 /nfs/dbraw/zinc/07/41/89/525074189.db2.gz IOLCMYJGEGRINW-SMDDNHRTSA-N 1 0 353.369 1.509 20 70 FDIDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[C@@H]2O)[C@H](C)C1 ZINC000161304284 525076648 /nfs/dbraw/zinc/07/66/48/525076648.db2.gz CAZRUPAAJRPPND-OWSLCNJRSA-N 1 0 355.523 1.926 20 70 FDIDRO CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161311576 525077638 /nfs/dbraw/zinc/07/76/38/525077638.db2.gz JSPSASZGHHLCHY-UFRUDQCGSA-N 1 0 356.514 1.940 20 70 FDIDRO COC(=O)[C@@H](CNC(=O)[C@@H]1CCn2ccnc2C1)Cc1ccc(O)cc1 ZINC000161394313 525098809 /nfs/dbraw/zinc/09/88/09/525098809.db2.gz HCFZXAOBOCRYFM-HUUCEWRRSA-N 1 0 357.410 1.299 20 70 FDIDRO O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000161392219 525099385 /nfs/dbraw/zinc/09/93/85/525099385.db2.gz DVVOBARTAMJIMS-OAHLLOKOSA-N 1 0 365.437 1.969 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000161414514 525103039 /nfs/dbraw/zinc/10/30/39/525103039.db2.gz JOYCTHWDEZKKDR-MRXNPFEDSA-N 1 0 368.275 1.902 20 70 FDIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000161419001 525105473 /nfs/dbraw/zinc/10/54/73/525105473.db2.gz OBNGXQIDYXGWTB-UHFFFAOYSA-N 1 0 366.405 1.688 20 70 FDIDRO CCCN(CC1CC1)S(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000161453210 525111707 /nfs/dbraw/zinc/11/17/07/525111707.db2.gz VYVOZOIILOQHBZ-OAHLLOKOSA-N 1 0 361.552 1.378 20 70 FDIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161480449 525115533 /nfs/dbraw/zinc/11/55/33/525115533.db2.gz WSHJAKKFRLIJQQ-UONOGXRCSA-N 1 0 355.504 1.892 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000161478778 525116435 /nfs/dbraw/zinc/11/64/35/525116435.db2.gz HEYDHPGRASEYPE-GFCCVEGCSA-N 1 0 374.812 1.950 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000160167907 173701011 /nfs/dbraw/zinc/70/10/11/173701011.db2.gz XDTRNSUDYWIJTG-IRXDYDNUSA-N 1 0 360.454 1.956 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000160314005 173706814 /nfs/dbraw/zinc/70/68/14/173706814.db2.gz VPIBZWOFYKEPMZ-MJGOQNOKSA-N 1 0 362.470 1.821 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000160748010 173720330 /nfs/dbraw/zinc/72/03/30/173720330.db2.gz SQAGUXGFRSQMMQ-BXUZGUMPSA-N 1 0 371.359 1.758 20 70 FDIDRO O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000161172632 173732274 /nfs/dbraw/zinc/73/22/74/173732274.db2.gz SBLAMSAUNFNMDY-UHFFFAOYSA-N 1 0 365.499 1.097 20 70 FDIDRO Cc1noc(C)c1CCC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000159365464 524654295 /nfs/dbraw/zinc/65/42/95/524654295.db2.gz CIJMPNZDCUNINQ-GOSISDBHSA-N 1 0 357.454 1.759 20 70 FDIDRO CC[C@@H]1CN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC[N@@H+]1C[C@@H](C)O ZINC000159450102 524672248 /nfs/dbraw/zinc/67/22/48/524672248.db2.gz HDMQGNXZHXEJTB-OWCLPIDISA-N 1 0 365.478 1.229 20 70 FDIDRO C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000159564355 524697761 /nfs/dbraw/zinc/69/77/61/524697761.db2.gz IEMLXJGOCRZFEN-HOTGVXAUSA-N 1 0 363.458 1.501 20 70 FDIDRO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159594048 524704740 /nfs/dbraw/zinc/70/47/40/524704740.db2.gz NHLVWZOAPOIFTH-ULQDDVLXSA-N 1 0 361.486 1.839 20 70 FDIDRO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)CC1 ZINC000159639929 524712540 /nfs/dbraw/zinc/71/25/40/524712540.db2.gz AUXROBVATZTBMF-MSOLQXFVSA-N 1 0 367.534 1.480 20 70 FDIDRO CCOC(=O)c1cnn2c1nccc2C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000159653256 524714098 /nfs/dbraw/zinc/71/40/98/524714098.db2.gz IMMVMARLHGHEJV-CYBMUJFWSA-N 1 0 359.430 1.320 20 70 FDIDRO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC000159648320 524715440 /nfs/dbraw/zinc/71/54/40/524715440.db2.gz UNDUOIIFRHFSDN-MRXNPFEDSA-N 1 0 359.536 1.621 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000159714299 524725025 /nfs/dbraw/zinc/72/50/25/524725025.db2.gz KOUAPCROZUHVTM-UHFFFAOYSA-N 1 0 353.488 1.468 20 70 FDIDRO COCC[NH+]1CCC(NC(=O)N2CCC(C3CCOCC3)CC2)CC1 ZINC000159730433 524729843 /nfs/dbraw/zinc/72/98/43/524729843.db2.gz YJXQUGHCYGJYDP-UHFFFAOYSA-N 1 0 353.507 1.945 20 70 FDIDRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000159813404 524742292 /nfs/dbraw/zinc/74/22/92/524742292.db2.gz CKSOZRMAKYYGSS-KRWDZBQOSA-N 1 0 373.497 1.823 20 70 FDIDRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000159811980 524742554 /nfs/dbraw/zinc/74/25/54/524742554.db2.gz PBDNSMXFOSYEAT-KRWDZBQOSA-N 1 0 373.497 1.952 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCCCNC(=O)c2cccc(F)c2)CC1 ZINC000159845183 524750927 /nfs/dbraw/zinc/75/09/27/524750927.db2.gz MDLLDCGLSDSWMF-UHFFFAOYSA-N 1 0 350.438 1.683 20 70 FDIDRO CC[C@H](C(=O)NCCNC(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000159854349 524753685 /nfs/dbraw/zinc/75/36/85/524753685.db2.gz VUDGSJUHGJIYKF-CYBMUJFWSA-N 1 0 356.264 1.635 20 70 FDIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000159873357 524756888 /nfs/dbraw/zinc/75/68/88/524756888.db2.gz QOQLWLIHXJZESA-JKSUJKDBSA-N 1 0 362.474 1.229 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCc2cn3ccccc3n2)CC[N@@H+]1CCOC ZINC000159888458 524760400 /nfs/dbraw/zinc/76/04/00/524760400.db2.gz FZQWLFCEPCFVHN-QGZVFWFLSA-N 1 0 359.474 1.977 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000159905490 524765220 /nfs/dbraw/zinc/76/52/20/524765220.db2.gz CEPCLMOZTJINRA-QGZVFWFLSA-N 1 0 374.485 1.404 20 70 FDIDRO CC(C)N(CCc1nccs1)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000159911330 524765921 /nfs/dbraw/zinc/76/59/21/524765921.db2.gz WMCIYCKQROPSAE-HNNXBMFYSA-N 1 0 366.531 1.913 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000159991505 524785309 /nfs/dbraw/zinc/78/53/09/524785309.db2.gz BQITUDKCKSXRDQ-QGZVFWFLSA-N 1 0 350.507 1.905 20 70 FDIDRO O=C(C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1)N(Cc1ccccc1)C1CC1 ZINC000160057595 524799801 /nfs/dbraw/zinc/79/98/01/524799801.db2.gz GGNKLJBBQDQQBB-LJQANCHMSA-N 1 0 371.481 1.405 20 70 FDIDRO Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@H](CNc4ccccn4)C3)C2=O)cn1 ZINC000160088066 524805169 /nfs/dbraw/zinc/80/51/69/524805169.db2.gz IMIZRWJNAVQOJG-NVXWUHKLSA-N 1 0 354.458 1.745 20 70 FDIDRO C[C@H](CNC(=O)Cc1csc(-c2ccoc2)n1)C[NH+]1CCN(C)CC1 ZINC000160107614 524809947 /nfs/dbraw/zinc/80/99/47/524809947.db2.gz BCALDBZNMWBVRX-CQSZACIVSA-N 1 0 362.499 1.945 20 70 FDIDRO C[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCCCC2)C[NH+]1CCN(C)CC1 ZINC000160105834 524810107 /nfs/dbraw/zinc/81/01/07/524810107.db2.gz IXMXVKYZUNWGOC-HNNXBMFYSA-N 1 0 360.502 1.257 20 70 FDIDRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C[NH3+])ccc1Br ZINC000160145803 524817820 /nfs/dbraw/zinc/81/78/20/524817820.db2.gz GUURGWVENUTWED-SNVBAGLBSA-N 1 0 361.261 1.416 20 70 FDIDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C[C@@H](C)O)C(C)C)cn2)CC1 ZINC000160186299 524827516 /nfs/dbraw/zinc/82/75/16/524827516.db2.gz VTEQFRHQOOTQGR-MRXNPFEDSA-N 1 0 363.506 1.524 20 70 FDIDRO CC(C)Cn1ncc2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cnc21 ZINC000160211985 524833870 /nfs/dbraw/zinc/83/38/70/524833870.db2.gz MGSGHVRTDGMJLJ-QGZVFWFLSA-N 1 0 359.474 1.664 20 70 FDIDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000160229454 524836610 /nfs/dbraw/zinc/83/66/10/524836610.db2.gz ZLCAALYUNNBQBK-GXTWGEPZSA-N 1 0 355.360 1.614 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000160284023 524848723 /nfs/dbraw/zinc/84/87/23/524848723.db2.gz ISIHLNXRXAPJOB-RWMBFGLXSA-N 1 0 350.463 1.967 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000160295803 524851642 /nfs/dbraw/zinc/85/16/42/524851642.db2.gz FXSJWCXNZJKEIV-HZPDHXFCSA-N 1 0 363.458 1.237 20 70 FDIDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160311715 524855813 /nfs/dbraw/zinc/85/58/13/524855813.db2.gz LJBQPCLAJNKYJH-QAPCUYQASA-N 1 0 362.474 1.612 20 70 FDIDRO CCN(CC)C(=O)N1CCC(C(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000160353418 524865238 /nfs/dbraw/zinc/86/52/38/524865238.db2.gz VSRUTBIGQRWYHF-KRWDZBQOSA-N 1 0 368.522 1.123 20 70 FDIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000160384314 524873154 /nfs/dbraw/zinc/87/31/54/524873154.db2.gz IOJWGURIRXJXKI-CYBMUJFWSA-N 1 0 359.430 1.433 20 70 FDIDRO CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160382205 524874536 /nfs/dbraw/zinc/87/45/36/524874536.db2.gz BKTZXCFMDFESLD-AWEZNQCLSA-N 1 0 353.850 1.875 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1CC ZINC000160413010 524883119 /nfs/dbraw/zinc/88/31/19/524883119.db2.gz GCJVNOMHFBJGIG-SUMWQHHRSA-N 1 0 361.490 1.520 20 70 FDIDRO CC(=O)N1CC[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000160420471 524884309 /nfs/dbraw/zinc/88/43/09/524884309.db2.gz AIIUYJYKRXBTBA-SFHVURJKSA-N 1 0 350.507 1.905 20 70 FDIDRO CN(C)c1nc2cc(NC(=O)C(=O)NCC[N@H+](C)C3CCCC3)ccc2o1 ZINC000160432590 524886239 /nfs/dbraw/zinc/88/62/39/524886239.db2.gz GVWFZUCHZDMOAO-UHFFFAOYSA-N 1 0 373.457 1.823 20 70 FDIDRO COc1ccccc1NCC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160440001 524890131 /nfs/dbraw/zinc/89/01/31/524890131.db2.gz ONFUOJFLTSBUIP-MSOLQXFVSA-N 1 0 369.465 1.859 20 70 FDIDRO C[C@@H](NC(=O)CC1CCCCC1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160436906 524890327 /nfs/dbraw/zinc/89/03/27/524890327.db2.gz ZYKDREHCSDAJOL-NVXWUHKLSA-N 1 0 353.507 1.425 20 70 FDIDRO CNC(=O)CN1CCC(NC(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)CC1 ZINC000160447811 524891333 /nfs/dbraw/zinc/89/13/33/524891333.db2.gz BUGJSBIBMMGEKZ-WMLDXEAASA-N 1 0 362.474 1.008 20 70 FDIDRO O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160494459 524903075 /nfs/dbraw/zinc/90/30/75/524903075.db2.gz HCFVXXICBLUVSQ-IYBDPMFKSA-N 1 0 363.483 1.341 20 70 FDIDRO C[C@H](NC(=O)c1ccoc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160512456 524905712 /nfs/dbraw/zinc/90/57/12/524905712.db2.gz VBDIBNFRSFMRRX-XKQJLSEDSA-N 1 0 363.458 1.282 20 70 FDIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000160533763 524910183 /nfs/dbraw/zinc/91/01/83/524910183.db2.gz SHPIXRREXRMRIA-UHFFFAOYSA-N 1 0 356.492 1.920 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cnn(-c2ccccc2)n1 ZINC000160552984 524915316 /nfs/dbraw/zinc/91/53/16/524915316.db2.gz JHMQFXDWLZTIOP-RBUKOAKNSA-N 1 0 369.469 1.765 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCO1 ZINC000160615862 524929642 /nfs/dbraw/zinc/92/96/42/524929642.db2.gz ATWARXIQMAIBFT-QGZVFWFLSA-N 1 0 361.490 1.544 20 70 FDIDRO Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000160612019 524930166 /nfs/dbraw/zinc/93/01/66/524930166.db2.gz WZVMZLIHTIAFLZ-CYBMUJFWSA-N 1 0 359.474 1.832 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cnn1-c1ccccc1 ZINC000160622996 524931904 /nfs/dbraw/zinc/93/19/04/524931904.db2.gz RBNHBTIFHUYNOH-OAHLLOKOSA-N 1 0 369.469 1.967 20 70 FDIDRO CSc1ccc(O[C@@H](C)C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160641184 524935186 /nfs/dbraw/zinc/93/51/86/524935186.db2.gz JYROGMDNFSYSFL-AWEZNQCLSA-N 1 0 352.500 1.996 20 70 FDIDRO CCNC(=O)CN(CC)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000160667944 524942500 /nfs/dbraw/zinc/94/25/00/524942500.db2.gz YJLYTYTTYXJSKC-UHFFFAOYSA-N 1 0 361.486 1.489 20 70 FDIDRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160664645 524942648 /nfs/dbraw/zinc/94/26/48/524942648.db2.gz VCTVDUQQSFODCU-RDTXWAMCSA-N 1 0 359.470 1.715 20 70 FDIDRO O=C(CCC(=O)NC1CCCC1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000160665386 524943054 /nfs/dbraw/zinc/94/30/54/524943054.db2.gz OFIKJPPTEHVLQA-RTBURBONSA-N 1 0 373.497 1.577 20 70 FDIDRO CC(C)(C)CC(=O)NCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160677060 524945172 /nfs/dbraw/zinc/94/51/72/524945172.db2.gz VJURFFFYADMUQX-HOTGVXAUSA-N 1 0 353.507 1.423 20 70 FDIDRO Cc1nc(CN2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)oc1C ZINC000160684094 524946944 /nfs/dbraw/zinc/94/69/44/524946944.db2.gz UROPAZRBKZSGKL-KRWDZBQOSA-N 1 0 361.490 1.603 20 70 FDIDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3(NC(N)=O)CC3)cc2)C1 ZINC000160695165 524950932 /nfs/dbraw/zinc/95/09/32/524950932.db2.gz WLDQBBJTZKJMAV-HUUCEWRRSA-N 1 0 358.486 1.982 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C1 ZINC000160744580 524962128 /nfs/dbraw/zinc/96/21/28/524962128.db2.gz OMCOXEYPWDGTQN-MRXNPFEDSA-N 1 0 359.451 1.921 20 70 FDIDRO Cc1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccc1N(C)C ZINC000160799741 524973188 /nfs/dbraw/zinc/97/31/88/524973188.db2.gz VBFNTDUNPROJMY-SFHVURJKSA-N 1 0 373.501 1.831 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000160902629 524992047 /nfs/dbraw/zinc/99/20/47/524992047.db2.gz WWHBGAYBYJSMOD-UHFFFAOYSA-N 1 0 366.462 1.490 20 70 FDIDRO CC[C@H](C)OCC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000160966156 525005786 /nfs/dbraw/zinc/00/57/86/525005786.db2.gz XSVVBXPDRRSUIB-HNNXBMFYSA-N 1 0 355.523 1.744 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n(CC)c3=O)CC1 ZINC000161021809 525017989 /nfs/dbraw/zinc/01/79/89/525017989.db2.gz MONSLJYHNUONTC-UHFFFAOYSA-N 1 0 358.442 1.171 20 70 FDIDRO CO[C@H]1CCN(C(=O)c2ccccc2I)[C@H](C[NH3+])C1 ZINC000161059556 525023810 /nfs/dbraw/zinc/02/38/10/525023810.db2.gz BXLYFAHHNWGYEF-QWRGUYRKSA-N 1 0 374.222 1.870 20 70 FDIDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)CC1=O ZINC000161107001 525034631 /nfs/dbraw/zinc/03/46/31/525034631.db2.gz XCIKQPATKJJFNA-LXZKKBNFSA-N 1 0 361.490 1.098 20 70 FDIDRO COCC[N@H+](C)CCNC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC000161174950 525048009 /nfs/dbraw/zinc/04/80/09/525048009.db2.gz UVZBHDPOBKSINV-UHFFFAOYSA-N 1 0 374.363 1.200 20 70 FDIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000161181481 525050985 /nfs/dbraw/zinc/05/09/85/525050985.db2.gz AQXMKAKLTUFXMD-UHFFFAOYSA-N 1 0 365.449 1.640 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CS(=O)(=O)c1ccc(C(C)=O)c(F)c1 ZINC000161260745 525066148 /nfs/dbraw/zinc/06/61/48/525066148.db2.gz BRZKKBLBADCDLK-GFCCVEGCSA-N 1 0 356.419 1.012 20 70 FDIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cccc2ccccc21 ZINC000161308382 525077702 /nfs/dbraw/zinc/07/77/02/525077702.db2.gz VJOMMUORCBXEQQ-UHFFFAOYSA-N 1 0 366.483 1.401 20 70 FDIDRO CN1C(=O)C[C@H](C(=O)N[C@@H]2CCN(c3ccccn3)C2)[C@H]1c1cccnc1 ZINC000161315855 525078448 /nfs/dbraw/zinc/07/84/48/525078448.db2.gz ZQWPYAWLBBLMKM-JTDSTZFVSA-N 1 0 365.437 1.391 20 70 FDIDRO O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCN(c2ccccn2)C1 ZINC000161319093 525080949 /nfs/dbraw/zinc/08/09/49/525080949.db2.gz MDQQDJFCWAITHD-KRWDZBQOSA-N 1 0 358.486 1.812 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000161331106 525083019 /nfs/dbraw/zinc/08/30/19/525083019.db2.gz AXCBFSAPYROABU-CYBMUJFWSA-N 1 0 359.879 1.219 20 70 FDIDRO Cc1cnn(Cc2cc(C(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)no2)c1 ZINC000161369127 525094453 /nfs/dbraw/zinc/09/44/53/525094453.db2.gz BRODZJWALVXTNU-GJZGRUSLSA-N 1 0 361.446 1.457 20 70 FDIDRO Cc1nccn1-c1ccc(CNC(=O)CS(=O)(=O)C(C)(C)C)cn1 ZINC000161431831 525106764 /nfs/dbraw/zinc/10/67/64/525106764.db2.gz UMLCQERPNYWBMP-UHFFFAOYSA-N 1 0 350.444 1.405 20 70 FDIDRO Cc1cc(F)ccc1S(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000161461009 525113880 /nfs/dbraw/zinc/11/38/80/525113880.db2.gz HRBSGSMMKRFSQB-CQSZACIVSA-N 1 0 358.479 1.847 20 70 FDIDRO Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000161496570 525119316 /nfs/dbraw/zinc/11/93/16/525119316.db2.gz BKFZYURSMFUVHB-ZIAGYGMSSA-N 1 0 353.488 1.553 20 70 FDIDRO CCN(CC)S(=O)(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000161130886 258263509 /nfs/dbraw/zinc/26/35/09/258263509.db2.gz AHQDNOXGSJQDQP-UHFFFAOYSA-N 1 0 355.504 1.320 20 70 FDIDRO CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000159362817 524650290 /nfs/dbraw/zinc/65/02/90/524650290.db2.gz MFJYANKCOOFPDS-GXFFZTMASA-N 1 0 355.385 1.883 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CC3)C1 ZINC000159365659 524653255 /nfs/dbraw/zinc/65/32/55/524653255.db2.gz JGCWOAZJLJELPV-CQSZACIVSA-N 1 0 372.469 1.604 20 70 FDIDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c(OC)c1 ZINC000159367592 524653696 /nfs/dbraw/zinc/65/36/96/524653696.db2.gz PERJUQCTSORBAU-OAHLLOKOSA-N 1 0 356.488 1.998 20 70 FDIDRO O=C(CCn1ccnc1)Nc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159390412 524660217 /nfs/dbraw/zinc/66/02/17/524660217.db2.gz YINMTZJUSQUSFS-HDICACEKSA-N 1 0 367.453 1.878 20 70 FDIDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000159424784 524666449 /nfs/dbraw/zinc/66/64/49/524666449.db2.gz HLSMAUXEEMBYEC-CVEARBPZSA-N 1 0 365.478 1.494 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3)C1 ZINC000159426763 524667434 /nfs/dbraw/zinc/66/74/34/524667434.db2.gz SHIRXTYCEPDLAH-CQSZACIVSA-N 1 0 372.469 1.604 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccnc2OC(C)C)C1 ZINC000159457503 524674820 /nfs/dbraw/zinc/67/48/20/524674820.db2.gz YODXJFCWOYMNKA-HNNXBMFYSA-N 1 0 362.474 1.901 20 70 FDIDRO COC(=O)CNC(=O)CC[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000159465924 524677619 /nfs/dbraw/zinc/67/76/19/524677619.db2.gz HYQVBOFREAACLG-AWEZNQCLSA-N 1 0 351.422 1.184 20 70 FDIDRO CC(C)[C@H](CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000159537804 524693360 /nfs/dbraw/zinc/69/33/60/524693360.db2.gz VJVNTILKJVHXAZ-SQNIBIBYSA-N 1 0 352.523 1.515 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000159576056 524699031 /nfs/dbraw/zinc/69/90/31/524699031.db2.gz XWYCQXOWJCXJPH-UHFFFAOYSA-N 1 0 368.503 1.174 20 70 FDIDRO O=C(c1cc(-n2cccn2)ccn1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000159587166 524702789 /nfs/dbraw/zinc/70/27/89/524702789.db2.gz QFZPDULDWWKJSB-GOSISDBHSA-N 1 0 369.469 1.984 20 70 FDIDRO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159601059 524705604 /nfs/dbraw/zinc/70/56/04/524705604.db2.gz LYYREGCXGWJBEK-BBRMVZONSA-N 1 0 363.483 1.488 20 70 FDIDRO CC[N@H+](CCOc1ccc(Br)cc1)[C@H](C)C(=O)NC(=O)NC ZINC000159628688 524710963 /nfs/dbraw/zinc/71/09/63/524710963.db2.gz ZWZRJXYLDIGTIF-LLVKDONJSA-N 1 0 372.263 1.994 20 70 FDIDRO COc1ccc(CNC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1OC ZINC000159663379 524716035 /nfs/dbraw/zinc/71/60/35/524716035.db2.gz PDWGMOYQNIKDOT-BPUTZDHNSA-N 1 0 350.459 1.801 20 70 FDIDRO CC(=O)N1CC[C@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000159737236 524729755 /nfs/dbraw/zinc/72/97/55/524729755.db2.gz LDVNWTVDXSTWPU-SFHVURJKSA-N 1 0 358.486 1.326 20 70 FDIDRO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159864278 524755155 /nfs/dbraw/zinc/75/51/55/524755155.db2.gz UZCCBBRMMILRPC-YOEHRIQHSA-N 1 0 365.441 1.847 20 70 FDIDRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000159888498 524760768 /nfs/dbraw/zinc/76/07/68/524760768.db2.gz UZAYPRQIULDKBM-NVXWUHKLSA-N 1 0 361.490 1.544 20 70 FDIDRO Cc1cccc([C@H]2CCCN2CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000159904275 524763369 /nfs/dbraw/zinc/76/33/69/524763369.db2.gz AVBXSWKETMSPJQ-UYAOXDASSA-N 1 0 374.529 2.000 20 70 FDIDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000159907708 524764183 /nfs/dbraw/zinc/76/41/83/524764183.db2.gz XLZXXMUNXXKXPR-HUUCEWRRSA-N 1 0 353.467 1.398 20 70 FDIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000159988183 524783572 /nfs/dbraw/zinc/78/35/72/524783572.db2.gz WDRNCPNQEWSOQP-AWEZNQCLSA-N 1 0 361.490 1.207 20 70 FDIDRO COc1ccc([C@@H](CNC(=O)C(=O)Nc2nocc2C)[NH+]2CCCC2)cc1 ZINC000160003592 524788272 /nfs/dbraw/zinc/78/82/72/524788272.db2.gz ZHHSNCVTWFDWJW-MRXNPFEDSA-N 1 0 372.425 1.883 20 70 FDIDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCn4ccnc4C3)cn2)CC1 ZINC000160065727 524801682 /nfs/dbraw/zinc/80/16/82/524801682.db2.gz FTMKTNVTUIDVKK-QGZVFWFLSA-N 1 0 368.485 1.299 20 70 FDIDRO CCC1(CC)[C@H](NC(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H]1OC ZINC000160075847 524803414 /nfs/dbraw/zinc/80/34/14/524803414.db2.gz FAQHFFHSYSRJRV-IAGOWNOFSA-N 1 0 354.539 1.907 20 70 FDIDRO Cc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cccc1S(N)(=O)=O ZINC000160087804 524804914 /nfs/dbraw/zinc/80/49/14/524804914.db2.gz XYIOMQBOQKFETI-ZFWWWQNUSA-N 1 0 351.472 1.199 20 70 FDIDRO O=C(Cc1ccccc1Br)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160082443 524805448 /nfs/dbraw/zinc/80/54/48/524805448.db2.gz HPACPGVBHDSAFI-AWEZNQCLSA-N 1 0 355.276 1.955 20 70 FDIDRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[NH3+])ccc1Br ZINC000160145942 524819112 /nfs/dbraw/zinc/81/91/12/524819112.db2.gz GUURGWVENUTWED-JTQLQIEISA-N 1 0 361.261 1.416 20 70 FDIDRO CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160189294 524826197 /nfs/dbraw/zinc/82/61/97/524826197.db2.gz RCRICRVTYBYVBE-KRWDZBQOSA-N 1 0 372.469 1.848 20 70 FDIDRO O=C(c1cn(-c2ccc(C(F)(F)F)cn2)nn1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160184291 524826299 /nfs/dbraw/zinc/82/62/99/524826299.db2.gz CSCKGFVQDIEBKE-TXEJJXNPSA-N 1 0 366.347 1.648 20 70 FDIDRO [NH3+][C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000160240373 524839198 /nfs/dbraw/zinc/83/91/98/524839198.db2.gz AINMSAHSUUSEGF-CQSZACIVSA-N 1 0 371.890 1.300 20 70 FDIDRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000160265051 524842689 /nfs/dbraw/zinc/84/26/89/524842689.db2.gz RIZFFIKONSUQGD-UONOGXRCSA-N 1 0 351.397 1.301 20 70 FDIDRO COc1ccc(N2C(=O)C[C@H]([N@H+](C)CCCn3ccnc3C)C2=O)cn1 ZINC000160257684 524843334 /nfs/dbraw/zinc/84/33/34/524843334.db2.gz UELHIUUQGUHYAW-HNNXBMFYSA-N 1 0 357.414 1.249 20 70 FDIDRO CCN(C(=O)N[C@@H]1CCc2ncnn2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160329891 524857367 /nfs/dbraw/zinc/85/73/67/524857367.db2.gz LSQHKTZSADTUIC-QZTJIDSGSA-N 1 0 368.485 1.899 20 70 FDIDRO CO[C@@]1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCOC1 ZINC000160357841 524866347 /nfs/dbraw/zinc/86/63/47/524866347.db2.gz VOXOEYCTBMZIRN-DZGCQCFKSA-N 1 0 360.248 1.584 20 70 FDIDRO O=C(CNC(=O)c1ccsc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160357031 524866609 /nfs/dbraw/zinc/86/66/09/524866609.db2.gz ZIKGPFOIFARCMR-JKSUJKDBSA-N 1 0 365.499 1.362 20 70 FDIDRO CO[C@]1(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCOC1 ZINC000160357941 524866781 /nfs/dbraw/zinc/86/67/81/524866781.db2.gz VOXOEYCTBMZIRN-HIFRSBDPSA-N 1 0 360.248 1.584 20 70 FDIDRO Cc1ccoc1C(=O)NCCCNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000160384599 524873457 /nfs/dbraw/zinc/87/34/57/524873457.db2.gz SQQOZZQXTZHSKQ-UHFFFAOYSA-N 1 0 358.442 1.864 20 70 FDIDRO COCc1nc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000160494726 524902738 /nfs/dbraw/zinc/90/27/38/524902738.db2.gz OILSWMIENAUIBB-GJZGRUSLSA-N 1 0 353.488 1.787 20 70 FDIDRO C[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)NC(=O)C1CCCCC1 ZINC000160511453 524905994 /nfs/dbraw/zinc/90/59/94/524905994.db2.gz GORMNUTVRHRIML-NVXWUHKLSA-N 1 0 353.507 1.425 20 70 FDIDRO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160515930 524906046 /nfs/dbraw/zinc/90/60/46/524906046.db2.gz BTOVRSAGLLHSTQ-KSZLIROESA-N 1 0 358.486 1.863 20 70 FDIDRO CC(C)c1nnc(/C=C/C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)o1 ZINC000160523314 524907938 /nfs/dbraw/zinc/90/79/38/524907938.db2.gz XUPJLNAEUKZLCI-AFYXXPPBSA-N 1 0 370.453 1.958 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000160519048 524908115 /nfs/dbraw/zinc/90/81/15/524908115.db2.gz KTNLMGBQOKMJGP-QGZVFWFLSA-N 1 0 372.469 1.128 20 70 FDIDRO O=C(Cc1ccc(OC(F)(F)F)cc1)NCC1CC[NH+](CCO)CC1 ZINC000160594649 524924274 /nfs/dbraw/zinc/92/42/74/524924274.db2.gz OUWSBSSGSLFHRJ-UHFFFAOYSA-N 1 0 360.376 1.948 20 70 FDIDRO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160655904 524939587 /nfs/dbraw/zinc/93/95/87/524939587.db2.gz TUOOQTLJQXMTEP-HXUWFJFHSA-N 1 0 373.497 1.343 20 70 FDIDRO COc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1OC(F)F ZINC000160665990 524941910 /nfs/dbraw/zinc/94/19/10/524941910.db2.gz LNELHMBTOXZCPJ-UHFFFAOYSA-N 1 0 358.385 1.731 20 70 FDIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cncc(I)c2)C1 ZINC000160664327 524942137 /nfs/dbraw/zinc/94/21/37/524942137.db2.gz MHLNUPQHXYMTOB-JTQLQIEISA-N 1 0 359.211 1.758 20 70 FDIDRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC2(C1)OCCO2 ZINC000160668368 524942903 /nfs/dbraw/zinc/94/29/03/524942903.db2.gz ZHQLMMNUYVWNJR-WMZOPIPTSA-N 1 0 359.470 1.214 20 70 FDIDRO COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H]([NH+]3CCCC3)C1)CC2 ZINC000160675233 524944301 /nfs/dbraw/zinc/94/43/01/524944301.db2.gz XIBGWXYLEJYADY-LSDHHAIUSA-N 1 0 362.478 1.009 20 70 FDIDRO CC(C)CC(=O)NCCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160687421 524948414 /nfs/dbraw/zinc/94/84/14/524948414.db2.gz BCLFVQIBHUSDDE-DLBZAZTESA-N 1 0 353.507 1.423 20 70 FDIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000160694670 524952227 /nfs/dbraw/zinc/95/22/27/524952227.db2.gz LUNWQHUQAFFZLM-GOSISDBHSA-N 1 0 374.460 1.777 20 70 FDIDRO CCn1nccc1/C=C/C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160706814 524954245 /nfs/dbraw/zinc/95/42/45/524954245.db2.gz QEICBPLOSOWFQX-TYFAACHXSA-N 1 0 354.454 1.668 20 70 FDIDRO O=C(Cc1c[nH]c2ncccc12)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160745678 524962944 /nfs/dbraw/zinc/96/29/44/524962944.db2.gz MOEKBJRHOPXSPC-ZWKOTPCHSA-N 1 0 356.470 1.990 20 70 FDIDRO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)C[C@H](O)C1CC1 ZINC000160817936 524976579 /nfs/dbraw/zinc/97/65/79/524976579.db2.gz YWHHEYQPGXERJE-OKKBVBHFSA-N 1 0 363.502 1.872 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC[NH2+]CC3)C2)cc1 ZINC000160847809 524981433 /nfs/dbraw/zinc/98/14/33/524981433.db2.gz WBBJMTZFPRFZKY-INIZCTEOSA-N 1 0 365.499 1.218 20 70 FDIDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)COc2ccc3c(c2)CCCC3)C1 ZINC000160866187 524986122 /nfs/dbraw/zinc/98/61/22/524986122.db2.gz VLZSYRBVWLNDFB-GOSISDBHSA-N 1 0 373.497 1.648 20 70 FDIDRO C[NH2+]C[C@@H](C)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000160878008 524987176 /nfs/dbraw/zinc/98/71/76/524987176.db2.gz PQKKJLUEBUMERP-CYBMUJFWSA-N 1 0 373.544 1.437 20 70 FDIDRO C[C@@H](C(=O)NC1CCCC1)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160911402 524994975 /nfs/dbraw/zinc/99/49/75/524994975.db2.gz CAZWVRQSZQOOFD-SFHVURJKSA-N 1 0 350.551 1.927 20 70 FDIDRO Cc1nnc([C@H]2CN(C(=O)NC[C@@H]3CCCC[N@H+]3CC(C)C)CCO2)[nH]1 ZINC000160935146 524999554 /nfs/dbraw/zinc/99/95/54/524999554.db2.gz GMJRCFXEVULMIX-JKSUJKDBSA-N 1 0 364.494 1.707 20 70 FDIDRO CCC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC000161207712 525054812 /nfs/dbraw/zinc/05/48/12/525054812.db2.gz NRDNTGOWOBHIAM-MRXNPFEDSA-N 1 0 371.478 1.389 20 70 FDIDRO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NC1CC[NH+](C(C)C)CC1)CC2 ZINC000161229322 525060366 /nfs/dbraw/zinc/06/03/66/525060366.db2.gz UGSUGJBUIVURHK-IAGOWNOFSA-N 1 0 353.507 1.821 20 70 FDIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000161250927 525064811 /nfs/dbraw/zinc/06/48/11/525064811.db2.gz UCQDOOTVKYODBJ-SJORKVTESA-N 1 0 359.470 1.575 20 70 FDIDRO CCS(=O)(=O)c1cccc(CC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000161264814 525068395 /nfs/dbraw/zinc/06/83/95/525068395.db2.gz LHMAOZGZLCOIIS-WMZOPIPTSA-N 1 0 364.511 1.965 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)cc1 ZINC000161294247 525074771 /nfs/dbraw/zinc/07/47/71/525074771.db2.gz UPBHBGLZQFFFHY-GOSISDBHSA-N 1 0 365.499 1.218 20 70 FDIDRO COC(=O)c1ccc(C)c(NC(=O)CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000161316265 525081100 /nfs/dbraw/zinc/08/11/00/525081100.db2.gz ISFYYIYQFBOLMZ-UHFFFAOYSA-N 1 0 368.437 1.937 20 70 FDIDRO Cn1cnc(-c2ccc(NC(=O)NCCN3CCC([NH+](C)C)CC3)cc2)n1 ZINC000161362757 525089441 /nfs/dbraw/zinc/08/94/41/525089441.db2.gz MICKREMBWMFGLR-UHFFFAOYSA-N 1 0 371.489 1.630 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000161372658 525095559 /nfs/dbraw/zinc/09/55/59/525095559.db2.gz FRDKBVMMUYJQKD-OAHLLOKOSA-N 1 0 353.488 1.540 20 70 FDIDRO CC(C)n1cc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cn1 ZINC000161446696 525109751 /nfs/dbraw/zinc/10/97/51/525109751.db2.gz PXAJPVDAWYDYND-AWEZNQCLSA-N 1 0 358.508 1.177 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000161458287 525112103 /nfs/dbraw/zinc/11/21/03/525112103.db2.gz WOBIELBDDLWPLW-GFCCVEGCSA-N 1 0 358.357 1.435 20 70 FDIDRO Cc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1C(F)(F)F ZINC000161465897 525114195 /nfs/dbraw/zinc/11/41/95/525114195.db2.gz CSXOADBMAIFOAV-ZDUSSCGKSA-N 1 0 354.394 1.605 20 70 FDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(F)cc1Br ZINC000161505407 525119088 /nfs/dbraw/zinc/11/90/88/525119088.db2.gz JXWGFBWQZBPHJC-LBPRGKRZSA-N 1 0 369.256 1.179 20 70 FDIDRO O=C([C@H]1CCCC[NH2+]1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159794837 173688691 /nfs/dbraw/zinc/68/86/91/173688691.db2.gz ATAJZMJSVHFLFS-MSOLQXFVSA-N 1 0 356.470 1.078 20 70 FDIDRO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159841626 173690786 /nfs/dbraw/zinc/69/07/86/173690786.db2.gz PZKISNZKKVHVMZ-IBGZPJMESA-N 1 0 368.485 1.756 20 70 FDIDRO COc1ccc(C(C)(C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1OC ZINC000160334526 173708033 /nfs/dbraw/zinc/70/80/33/173708033.db2.gz DVESUVJRQTUKTP-MRXNPFEDSA-N 1 0 364.486 1.944 20 70 FDIDRO C[C@@]1(c2cccc(C(=O)NC3CC[NH+](C4CC4)CC3)c2)NC(=O)NC1=O ZINC000161404360 173740360 /nfs/dbraw/zinc/74/03/60/173740360.db2.gz VTFHTGYJGWREBF-IBGZPJMESA-N 1 0 356.426 1.098 20 70 FDIDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)CC1 ZINC000161480627 173742794 /nfs/dbraw/zinc/74/27/94/173742794.db2.gz RBIZLIJBXKGMAM-KLAILNCOSA-N 1 0 350.507 1.936 20 70 FDIDRO Cc1ccccc1CNC(=O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159377384 524655467 /nfs/dbraw/zinc/65/54/67/524655467.db2.gz QYUOUDLVLTUVOA-SFHVURJKSA-N 1 0 358.486 1.025 20 70 FDIDRO COc1ccc(C(=O)N[C@H](C(=O)N2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000159422029 524666927 /nfs/dbraw/zinc/66/69/27/524666927.db2.gz XAVZOROULVKBCG-SFHVURJKSA-N 1 0 353.422 1.598 20 70 FDIDRO CNC(=O)c1cccc(OCC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000159442979 524669747 /nfs/dbraw/zinc/66/97/47/524669747.db2.gz NXMUCJWESWBKHT-HRCADAONSA-N 1 0 361.486 1.908 20 70 FDIDRO CN(CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(=O)c1ccc(Br)o1 ZINC000159468696 524678604 /nfs/dbraw/zinc/67/86/04/524678604.db2.gz XOWDLPPAQSMYNS-PHIMTYICSA-N 1 0 370.247 1.467 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)C1 ZINC000159567853 524696758 /nfs/dbraw/zinc/69/67/58/524696758.db2.gz GPEWMIQMXDKJNI-VBKZILBWSA-N 1 0 372.469 1.449 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CC1 ZINC000159561124 524696987 /nfs/dbraw/zinc/69/69/87/524696987.db2.gz NYNFQIUWPZOFGQ-LJQANCHMSA-N 1 0 360.502 1.797 20 70 FDIDRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H](C)c2c(C)noc2C)CC1 ZINC000159678202 524718991 /nfs/dbraw/zinc/71/89/91/524718991.db2.gz KBLMFVUNTODDEX-CABCVRRESA-N 1 0 365.522 1.968 20 70 FDIDRO CC(C)CCn1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000159743893 524731074 /nfs/dbraw/zinc/73/10/74/524731074.db2.gz SXTMZBJKSFJMEJ-OAHLLOKOSA-N 1 0 364.494 1.638 20 70 FDIDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccncc2Br)CC1 ZINC000159746710 524732011 /nfs/dbraw/zinc/73/20/11/524732011.db2.gz KVTNFTLKTWBOIX-LBPRGKRZSA-N 1 0 356.264 1.667 20 70 FDIDRO O=C([C@@H]1CCCC[NH2+]1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159794570 524738915 /nfs/dbraw/zinc/73/89/15/524738915.db2.gz ATAJZMJSVHFLFS-ROUUACIJSA-N 1 0 356.470 1.078 20 70 FDIDRO CC[NH+]1CCC(NS(=O)(=O)CCC(=O)OCc2ccccc2)CC1 ZINC000159848403 524752026 /nfs/dbraw/zinc/75/20/26/524752026.db2.gz QBMSESXALBBXPM-UHFFFAOYSA-N 1 0 354.472 1.524 20 70 FDIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCOc1ccccc1Cl ZINC000159849772 524752375 /nfs/dbraw/zinc/75/23/75/524752375.db2.gz TVMYUINCJDUVNP-AWEZNQCLSA-N 1 0 354.882 1.654 20 70 FDIDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159895536 524763017 /nfs/dbraw/zinc/76/30/17/524763017.db2.gz FYFQNVDPGZRQQL-DYVFJYSZSA-N 1 0 351.414 1.457 20 70 FDIDRO O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159944476 524774111 /nfs/dbraw/zinc/77/41/11/524774111.db2.gz JBADNOHSSOOBTO-ODZUORAKSA-N 1 0 364.467 1.308 20 70 FDIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000159955430 524774346 /nfs/dbraw/zinc/77/43/46/524774346.db2.gz OUPZBYGJBOSGCT-INIZCTEOSA-N 1 0 357.479 1.993 20 70 FDIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000159989411 524781864 /nfs/dbraw/zinc/78/18/64/524781864.db2.gz FTBDLOJHDWELFS-OAHLLOKOSA-N 1 0 373.501 1.997 20 70 FDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(NC(N)=O)CC1 ZINC000159999069 524785393 /nfs/dbraw/zinc/78/53/93/524785393.db2.gz DOTKYRUZNFPWDW-PBHICJAKSA-N 1 0 359.474 1.349 20 70 FDIDRO C[C@@H](C[C@H](O)c1ccccc1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000160011240 524788106 /nfs/dbraw/zinc/78/81/06/524788106.db2.gz CEZSEQJYLHTSGB-LPHOPBHVSA-N 1 0 362.518 1.824 20 70 FDIDRO CCOc1cccc2c1OC[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)C2 ZINC000160043824 524796717 /nfs/dbraw/zinc/79/67/17/524796717.db2.gz IRYJISLXQTWRPL-IAGOWNOFSA-N 1 0 362.470 1.599 20 70 FDIDRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000160048233 524797257 /nfs/dbraw/zinc/79/72/57/524797257.db2.gz OYKFZRNXZDHPJF-UHFFFAOYSA-N 1 0 352.438 1.893 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(-n2ccnn2)c1 ZINC000160062860 524799736 /nfs/dbraw/zinc/79/97/36/524799736.db2.gz OAWHBENYWFXSMZ-MOPGFXCFSA-N 1 0 369.469 1.765 20 70 FDIDRO Cc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cccc1S(N)(=O)=O ZINC000160087527 524804698 /nfs/dbraw/zinc/80/46/98/524804698.db2.gz XYIOMQBOQKFETI-HIFRSBDPSA-N 1 0 351.472 1.199 20 70 FDIDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C3(NC(N)=O)CC3)cc2)C[C@H](C)O1 ZINC000160118843 524812234 /nfs/dbraw/zinc/81/22/34/524812234.db2.gz ZDFPGBJIWALFNZ-OKILXGFUSA-N 1 0 360.458 1.113 20 70 FDIDRO CN(C[C@@H]1CCC[C@H]1O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000160127725 524813405 /nfs/dbraw/zinc/81/34/05/524813405.db2.gz NOURQRKRCOLNSX-DLBZAZTESA-N 1 0 361.490 1.136 20 70 FDIDRO Cc1cnccc1CCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000160126679 524814434 /nfs/dbraw/zinc/81/44/34/524814434.db2.gz ZPZKNYIHYXCNJQ-UHFFFAOYSA-N 1 0 368.485 1.579 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1OC[C@@H]1CCCO1 ZINC000160129200 524815606 /nfs/dbraw/zinc/81/56/06/524815606.db2.gz XKBNIOQFSOQDME-IRXDYDNUSA-N 1 0 362.470 1.821 20 70 FDIDRO Cc1ccc([C@@H](CNC(=O)CNC(=O)c2cccnc2)[NH+]2CCCC2)o1 ZINC000160135981 524816334 /nfs/dbraw/zinc/81/63/34/524816334.db2.gz RPERTTMPOCEUQT-MRXNPFEDSA-N 1 0 356.426 1.666 20 70 FDIDRO CC(=O)NC1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000160163576 524822971 /nfs/dbraw/zinc/82/29/71/524822971.db2.gz ZMSDLAPBZJKPNQ-DNVCBOLYSA-N 1 0 358.486 1.960 20 70 FDIDRO Cc1c(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)cnn1-c1ccccc1 ZINC000160175613 524824553 /nfs/dbraw/zinc/82/45/53/524824553.db2.gz ILGZFJOMTSUMDE-UHFFFAOYSA-N 1 0 369.469 1.967 20 70 FDIDRO O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160205343 524831605 /nfs/dbraw/zinc/83/16/05/524831605.db2.gz GGYVRDYVBDSVBH-WBVHZDCISA-N 1 0 373.419 1.843 20 70 FDIDRO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](CC(N)=O)C2)C[N@@H+]1Cc1ccccc1 ZINC000160282943 524847161 /nfs/dbraw/zinc/84/71/61/524847161.db2.gz BPEALIVXUDPBNJ-KBAYOESNSA-N 1 0 358.486 1.946 20 70 FDIDRO O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160332808 524859616 /nfs/dbraw/zinc/85/96/16/524859616.db2.gz KLMQQKOFIYEWEQ-HNNXBMFYSA-N 1 0 372.469 1.209 20 70 FDIDRO CN(C[C@@H]1CCC[C@H]1O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000160334084 524861105 /nfs/dbraw/zinc/86/11/05/524861105.db2.gz IBZDQKCIOQYBJN-MAUKXSAKSA-N 1 0 352.523 1.347 20 70 FDIDRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000160333842 524861223 /nfs/dbraw/zinc/86/12/23/524861223.db2.gz IBZDQKCIOQYBJN-YJBOKZPZSA-N 1 0 352.523 1.347 20 70 FDIDRO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cnn1-c1ccccc1F ZINC000160350672 524865221 /nfs/dbraw/zinc/86/52/21/524865221.db2.gz LTHXJTCAVUDSCQ-OAHLLOKOSA-N 1 0 360.433 1.896 20 70 FDIDRO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000160347724 524865581 /nfs/dbraw/zinc/86/55/81/524865581.db2.gz OWAJOBVBVYEEPH-IRXDYDNUSA-N 1 0 359.470 1.644 20 70 FDIDRO CCS(=O)(=O)NCc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000160365893 524870080 /nfs/dbraw/zinc/87/00/80/524870080.db2.gz UJEOECPIYJZVSH-OAHLLOKOSA-N 1 0 367.515 1.730 20 70 FDIDRO CCS(=O)(=O)c1cccc(CC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000160415603 524883730 /nfs/dbraw/zinc/88/37/30/524883730.db2.gz IRXVROBVPMYFFV-YOEHRIQHSA-N 1 0 352.500 1.821 20 70 FDIDRO CC(=O)N1CC[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000160420601 524885211 /nfs/dbraw/zinc/88/52/11/524885211.db2.gz AIIUYJYKRXBTBA-GOSISDBHSA-N 1 0 350.507 1.905 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cn(-c2ccccc2)nn1 ZINC000160435749 524886707 /nfs/dbraw/zinc/88/67/07/524886707.db2.gz RTTAMLTZQKDQSW-MOPGFXCFSA-N 1 0 369.469 1.765 20 70 FDIDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)[N@H+](C)C1CC1 ZINC000160430618 524887451 /nfs/dbraw/zinc/88/74/51/524887451.db2.gz LRBMJMHLJQIVKV-VIFPVBQESA-N 1 0 355.236 1.382 20 70 FDIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000160428181 524887606 /nfs/dbraw/zinc/88/76/06/524887606.db2.gz MHTZBOZUFXYULZ-GFCCVEGCSA-N 1 0 369.263 1.773 20 70 FDIDRO COc1ccccc1NCC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160440130 524889586 /nfs/dbraw/zinc/88/95/86/524889586.db2.gz ONFUOJFLTSBUIP-ZWKOTPCHSA-N 1 0 369.465 1.859 20 70 FDIDRO O=C(CS(=O)(=O)C1CCCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160572386 524918723 /nfs/dbraw/zinc/91/87/23/524918723.db2.gz GGZRDFGZTIRTMV-SJORKVTESA-N 1 0 372.531 1.228 20 70 FDIDRO Cc1ccc(CN2C[C@@H](C(=O)NCC3CC[NH+](CCO)CC3)CC2=O)cc1 ZINC000160582783 524920902 /nfs/dbraw/zinc/92/09/02/524920902.db2.gz LYWMSPICIZEPFJ-IBGZPJMESA-N 1 0 373.497 1.164 20 70 FDIDRO CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CC[C@H]([NH2+]C)C2)cc1 ZINC000160690243 524948626 /nfs/dbraw/zinc/94/86/26/524948626.db2.gz FOXUHAAWGIJPFH-KXKDPZRNSA-N 1 0 365.499 1.551 20 70 FDIDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3(NC(N)=O)CC3)cc2)C1 ZINC000160695026 524950458 /nfs/dbraw/zinc/95/04/58/524950458.db2.gz WLDQBBJTZKJMAV-GJZGRUSLSA-N 1 0 358.486 1.982 20 70 FDIDRO O=C(COc1ccccc1O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000160709659 524953305 /nfs/dbraw/zinc/95/33/05/524953305.db2.gz WOKIDUGBDNEOGC-IAGOWNOFSA-N 1 0 356.422 1.523 20 70 FDIDRO C[C@@H](C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000160717818 524955574 /nfs/dbraw/zinc/95/55/74/524955574.db2.gz KLEBCPJFHMDCDG-RDTXWAMCSA-N 1 0 371.441 1.017 20 70 FDIDRO CCCC(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160754879 524964680 /nfs/dbraw/zinc/96/46/80/524964680.db2.gz BALUOLFJFQNAEK-IAGOWNOFSA-N 1 0 350.507 1.809 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)co1 ZINC000160852519 524984725 /nfs/dbraw/zinc/98/47/25/524984725.db2.gz DPIYBQVOUYLONX-ZDUSSCGKSA-N 1 0 357.476 1.286 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000160920375 524995872 /nfs/dbraw/zinc/99/58/72/524995872.db2.gz OWCGZDSXZZBNOU-UHFFFAOYSA-N 1 0 362.405 1.871 20 70 FDIDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000160915214 524995902 /nfs/dbraw/zinc/99/59/02/524995902.db2.gz XGVQPNVNJNACOR-QWHCGFSZSA-N 1 0 357.480 1.095 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)CC1 ZINC000161010632 525017713 /nfs/dbraw/zinc/01/77/13/525017713.db2.gz YWHSXYKRVBHADY-UHFFFAOYSA-N 1 0 372.513 1.993 20 70 FDIDRO COc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000161036932 525021557 /nfs/dbraw/zinc/02/15/57/525021557.db2.gz GBPSWKVBBNJRRJ-SFHVURJKSA-N 1 0 369.465 1.714 20 70 FDIDRO COCc1nc2n(n1)C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)CC2 ZINC000161052846 525024925 /nfs/dbraw/zinc/02/49/25/525024925.db2.gz NYKQYPUAWDEETC-HNNXBMFYSA-N 1 0 364.494 1.351 20 70 FDIDRO C[NH+](C)[C@H](CNC(=O)CCCNC(=O)c1cccnc1)Cc1ccccc1 ZINC000161100510 525032351 /nfs/dbraw/zinc/03/23/51/525032351.db2.gz XHSLURDPTBMJIQ-IBGZPJMESA-N 1 0 368.481 1.881 20 70 FDIDRO CCS(=O)(=O)NCc1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000161156862 525044838 /nfs/dbraw/zinc/04/48/38/525044838.db2.gz PFCSEHZUEVFHRI-MRXNPFEDSA-N 1 0 353.488 1.196 20 70 FDIDRO CCc1nc(-c2ccccc2NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)n[nH]1 ZINC000161179849 525050334 /nfs/dbraw/zinc/05/03/34/525050334.db2.gz MEHANZFZBLRRAA-CYBMUJFWSA-N 1 0 370.457 1.383 20 70 FDIDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C ZINC000161244224 525063139 /nfs/dbraw/zinc/06/31/39/525063139.db2.gz YZOATMSDBFLACD-UHFFFAOYSA-N 1 0 361.421 1.716 20 70 FDIDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CCn3ccnc3C2)c1 ZINC000161253865 525066409 /nfs/dbraw/zinc/06/64/09/525066409.db2.gz YZQHELPSWAZJSR-QGZVFWFLSA-N 1 0 369.469 1.053 20 70 FDIDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000161256110 525067329 /nfs/dbraw/zinc/06/73/29/525067329.db2.gz INUJPRGAWXKDEC-UHFFFAOYSA-N 1 0 357.458 1.967 20 70 FDIDRO CCS(=O)(=O)c1cccc(CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000161264929 525067775 /nfs/dbraw/zinc/06/77/75/525067775.db2.gz LHMAOZGZLCOIIS-AEFFLSMTSA-N 1 0 364.511 1.965 20 70 FDIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(Cl)cc1F ZINC000161307518 525078390 /nfs/dbraw/zinc/07/83/90/525078390.db2.gz YKBVGACATAVLQN-UHFFFAOYSA-N 1 0 368.858 1.040 20 70 FDIDRO O=C(CN1CCC([C@@H](O)C(F)(F)F)CC1)NC[C@H]1Cc2ccccc2O1 ZINC000161330281 525082643 /nfs/dbraw/zinc/08/26/43/525082643.db2.gz ARYQKGZPTBMNKF-RHSMWYFYSA-N 1 0 372.387 1.742 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 ZINC000161375203 525096231 /nfs/dbraw/zinc/09/62/31/525096231.db2.gz XLSUHFRNQWTJDC-SFHVURJKSA-N 1 0 373.497 1.905 20 70 FDIDRO CC(C)c1ncc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)s1 ZINC000161400421 525101232 /nfs/dbraw/zinc/10/12/32/525101232.db2.gz AREXURRPQPWVRD-CYBMUJFWSA-N 1 0 350.488 1.821 20 70 FDIDRO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000161430206 525106629 /nfs/dbraw/zinc/10/66/29/525106629.db2.gz QVWCJRJEOACOCL-SJLPKXTDSA-N 1 0 350.434 1.414 20 70 FDIDRO C[C@@H](NC1CC[NH+](C)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000161438299 525108191 /nfs/dbraw/zinc/10/81/91/525108191.db2.gz SBBLOVZZJNHQQS-OAHLLOKOSA-N 1 0 367.515 1.452 20 70 FDIDRO CCOc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c2ccccc12 ZINC000161456603 525112122 /nfs/dbraw/zinc/11/21/22/525112122.db2.gz OUSABXGYJJPSBT-SFHVURJKSA-N 1 0 366.483 1.829 20 70 FDIDRO COc1ccc([C@@H](C)NC(=O)N2CCC([N@H+](C)CCO)CC2)cc1F ZINC000161453060 525112518 /nfs/dbraw/zinc/11/25/18/525112518.db2.gz MKAZJBUPOYGBIU-CYBMUJFWSA-N 1 0 353.438 1.993 20 70 FDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000161450612 525112702 /nfs/dbraw/zinc/11/27/02/525112702.db2.gz HHYXEESHCOHPNT-GFCCVEGCSA-N 1 0 362.442 1.678 20 70 FDIDRO CN1CCc2nc(NC(=O)c3cc(S(C)(=O)=O)cs3)sc2C1 ZINC000161502284 525119061 /nfs/dbraw/zinc/11/90/61/525119061.db2.gz JTDJZYNLNKQMPY-UHFFFAOYSA-N 1 0 357.482 1.848 20 70 FDIDRO CC[NH+](CC)C1CCN(c2ncc(C(=O)OC)cc2S(=O)(=O)F)CC1 ZINC001165053763 722007672 /nfs/dbraw/zinc/00/76/72/722007672.db2.gz FQMCGFYBIZVPBF-UHFFFAOYSA-N 1 0 373.450 1.837 20 70 FDIDRO O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)cc2[nH]1 ZINC000160177243 173701629 /nfs/dbraw/zinc/70/16/29/173701629.db2.gz RSPKMROFYRXZOP-CYBMUJFWSA-N 1 0 364.471 1.495 20 70 FDIDRO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000159367571 524654244 /nfs/dbraw/zinc/65/42/44/524654244.db2.gz XCQYXWIOIODSNW-HNNXBMFYSA-N 1 0 360.458 1.678 20 70 FDIDRO NC(=O)[C@H]1CCCN1C1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000159378829 524656296 /nfs/dbraw/zinc/65/62/96/524656296.db2.gz MFORRAQUBHKLOP-DOTOQJQBSA-N 1 0 367.515 1.040 20 70 FDIDRO C[C@H](C(=O)NC1CCC(C)CC1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159407895 524661372 /nfs/dbraw/zinc/66/13/72/524661372.db2.gz VZPVUMVNMOPYCC-HDWXEKECSA-N 1 0 364.534 1.484 20 70 FDIDRO CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159454339 524674255 /nfs/dbraw/zinc/67/42/55/524674255.db2.gz YMJRBEXUHMAXMN-IRXDYDNUSA-N 1 0 365.499 1.049 20 70 FDIDRO CC(C)(C)CC[NH+]1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000159510923 524686702 /nfs/dbraw/zinc/68/67/02/524686702.db2.gz VIEKUPZIIISTGY-UHFFFAOYSA-N 1 0 350.507 1.905 20 70 FDIDRO C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000159561142 524697841 /nfs/dbraw/zinc/69/78/41/524697841.db2.gz JMTWBEGNLOOPRT-PKOBYXMFSA-N 1 0 373.497 1.908 20 70 FDIDRO CC[NH+]1CCC(NC(=O)CSc2nnc(-c3ccccn3)n2C)CC1 ZINC000159560111 524698154 /nfs/dbraw/zinc/69/81/54/524698154.db2.gz VVMSQBOCMIOOEV-UHFFFAOYSA-N 1 0 360.487 1.570 20 70 FDIDRO C[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)CN1CCOCC1 ZINC000159586890 524701201 /nfs/dbraw/zinc/70/12/01/524701201.db2.gz PRBZZFPRXOKNRK-ROUUACIJSA-N 1 0 362.518 1.774 20 70 FDIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000159622592 524709969 /nfs/dbraw/zinc/70/99/69/524709969.db2.gz FGEXEPALEKAWNS-QGZVFWFLSA-N 1 0 363.506 1.639 20 70 FDIDRO CCOC(=O)c1cnn2c1nccc2C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000159653398 524714058 /nfs/dbraw/zinc/71/40/58/524714058.db2.gz IMMVMARLHGHEJV-ZDUSSCGKSA-N 1 0 359.430 1.320 20 70 FDIDRO C[C@@H](CNC(=O)NCCOc1ccccc1Cl)C[NH+]1CCN(C)CC1 ZINC000159668105 524717115 /nfs/dbraw/zinc/71/71/15/524717115.db2.gz XDNGPOBOBHDNHR-HNNXBMFYSA-N 1 0 368.909 1.902 20 70 FDIDRO C[C@@H](CNC(=O)N1CCC(C2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000159671662 524718465 /nfs/dbraw/zinc/71/84/65/524718465.db2.gz FLWQYFFXDVMJCM-KRWDZBQOSA-N 1 0 366.550 1.718 20 70 FDIDRO Cc1cc(S(N)(=O)=O)cc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1C ZINC000159779578 524736680 /nfs/dbraw/zinc/73/66/80/524736680.db2.gz NWFSTEQBOSBWOX-ZDUSSCGKSA-N 1 0 367.515 1.803 20 70 FDIDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nccs1 ZINC000159808972 524744032 /nfs/dbraw/zinc/74/40/32/524744032.db2.gz PEAJFIRZCUIUGA-AWEZNQCLSA-N 1 0 361.471 1.554 20 70 FDIDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000159833520 524749644 /nfs/dbraw/zinc/74/96/44/524749644.db2.gz CKRJJQXDFKVSIF-UHFFFAOYSA-N 1 0 350.463 1.539 20 70 FDIDRO COCC[N@H+](C)CCCNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159841633 524751978 /nfs/dbraw/zinc/75/19/78/524751978.db2.gz LADOYTJXRJNLQW-LLVKDONJSA-N 1 0 362.396 1.618 20 70 FDIDRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159842457 524752091 /nfs/dbraw/zinc/75/20/91/524752091.db2.gz QIBTWCNARABQOT-TXEJJXNPSA-N 1 0 371.890 1.557 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CC1 ZINC000159849541 524753473 /nfs/dbraw/zinc/75/34/73/524753473.db2.gz DRBUGPFHNTVKNT-FQEVSTJZSA-N 1 0 374.529 1.667 20 70 FDIDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159907479 524764060 /nfs/dbraw/zinc/76/40/60/524764060.db2.gz XLZXXMUNXXKXPR-LSDHHAIUSA-N 1 0 353.467 1.398 20 70 FDIDRO O=C(c1cc2c([nH]c1=O)CCCCC2)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000159908486 524766183 /nfs/dbraw/zinc/76/61/83/524766183.db2.gz JNWVBQZVSUDANG-MRXNPFEDSA-N 1 0 373.497 1.828 20 70 FDIDRO CCOCCN1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159931418 524770651 /nfs/dbraw/zinc/77/06/51/524770651.db2.gz LUFKSYDOBKNVES-AZUAARDMSA-N 1 0 374.529 1.871 20 70 FDIDRO CCCCn1ncc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000159965739 524776799 /nfs/dbraw/zinc/77/67/99/524776799.db2.gz MHCAUQROJXUZGX-HNNXBMFYSA-N 1 0 364.494 1.701 20 70 FDIDRO CC(=O)N1CCCN(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000160021983 524791525 /nfs/dbraw/zinc/79/15/25/524791525.db2.gz YISKQHPVDNWYNI-APWZRJJASA-N 1 0 358.486 1.771 20 70 FDIDRO O=C(Cc1ccc(Br)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160054338 524796291 /nfs/dbraw/zinc/79/62/91/524796291.db2.gz YYJGFFYVIMZZLA-OAHLLOKOSA-N 1 0 355.276 1.955 20 70 FDIDRO C[NH+](C)CCn1ccc(NC(=O)NCc2cccc3c2OCCCO3)n1 ZINC000160076964 524803669 /nfs/dbraw/zinc/80/36/69/524803669.db2.gz SYGJBZNZCPMXDS-UHFFFAOYSA-N 1 0 359.430 1.928 20 70 FDIDRO CC[NH+]1CCN(CCNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000160081160 524804170 /nfs/dbraw/zinc/80/41/70/524804170.db2.gz HCUNGMDPKXOYIB-YOEHRIQHSA-N 1 0 364.515 1.021 20 70 FDIDRO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160098348 524807118 /nfs/dbraw/zinc/80/71/18/524807118.db2.gz UDTJBWJDSQTMQS-LJQANCHMSA-N 1 0 370.497 1.995 20 70 FDIDRO C[C@H](CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)CN1CCOCC1 ZINC000160125495 524814034 /nfs/dbraw/zinc/81/40/34/524814034.db2.gz KAEOFQYYNLBBCM-OAHLLOKOSA-N 1 0 366.481 1.655 20 70 FDIDRO C[C@@H](CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)CN1CCOCC1 ZINC000160125362 524815221 /nfs/dbraw/zinc/81/52/21/524815221.db2.gz KAEOFQYYNLBBCM-HNNXBMFYSA-N 1 0 366.481 1.655 20 70 FDIDRO Cc1ccc(CN2C[C@H](C(=O)NC[C@H](O)C[NH+]3CCCCC3)CC2=O)cc1 ZINC000160132578 524815901 /nfs/dbraw/zinc/81/59/01/524815901.db2.gz KFQCEPDIIMAQLE-MOPGFXCFSA-N 1 0 373.497 1.307 20 70 FDIDRO CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000160163313 524822910 /nfs/dbraw/zinc/82/29/10/524822910.db2.gz XUBBSEOUHARGBQ-CVEARBPZSA-N 1 0 353.507 1.234 20 70 FDIDRO C[C@@H]1C[C@@H](NC(=O)N2CCN3C(=O)NC[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000160189842 524826121 /nfs/dbraw/zinc/82/61/21/524826121.db2.gz OKUUMBVQDOKCIG-DJIMGWMZSA-N 1 0 357.458 1.068 20 70 FDIDRO CC(C)CCn1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)nn1 ZINC000160257786 524844219 /nfs/dbraw/zinc/84/42/19/524844219.db2.gz UYJFJANCONDVPU-MSOLQXFVSA-N 1 0 363.506 1.822 20 70 FDIDRO Cc1nccn1CCC[N@@H+](C)[C@H]1CC(=O)N([C@@H](C)c2cccnc2)C1=O ZINC000160259146 524844265 /nfs/dbraw/zinc/84/42/65/524844265.db2.gz VCRYVGMMUVETNO-YOEHRIQHSA-N 1 0 355.442 1.797 20 70 FDIDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCC[C@](C)(O)C2)CC1 ZINC000160266629 524845206 /nfs/dbraw/zinc/84/52/06/524845206.db2.gz YKFKRMGQEVWUGY-NRFANRHFSA-N 1 0 374.529 1.881 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1CC ZINC000160325956 524858410 /nfs/dbraw/zinc/85/84/10/524858410.db2.gz XTGAXROEALICPV-CQSZACIVSA-N 1 0 363.506 1.911 20 70 FDIDRO COCCOCc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1F ZINC000160345876 524863344 /nfs/dbraw/zinc/86/33/44/524863344.db2.gz JVMJXOPJRUPIOL-QGZVFWFLSA-N 1 0 368.449 1.565 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160369861 524868231 /nfs/dbraw/zinc/86/82/31/524868231.db2.gz NAZYWWCOHSHOSJ-OAHLLOKOSA-N 1 0 365.499 1.733 20 70 FDIDRO CSc1nc(C2CC2)nc(C)c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160377348 524870557 /nfs/dbraw/zinc/87/05/57/524870557.db2.gz HRUWCCLDUQBIPP-CQSZACIVSA-N 1 0 364.515 1.961 20 70 FDIDRO C[NH+]1CCC(CCNS(=O)(=O)CCC(=O)OCc2ccccc2)CC1 ZINC000160419070 524882012 /nfs/dbraw/zinc/88/20/12/524882012.db2.gz MYRPRSDWCHJMFY-UHFFFAOYSA-N 1 0 368.499 1.771 20 70 FDIDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1)C(C)C ZINC000160422368 524885390 /nfs/dbraw/zinc/88/53/90/524885390.db2.gz USINMCXEKYKCRV-UHFFFAOYSA-N 1 0 361.446 1.679 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(CN2CCCC2=O)cc1 ZINC000160431067 524886406 /nfs/dbraw/zinc/88/64/06/524886406.db2.gz QQVXOVNLOHBPSN-SFHVURJKSA-N 1 0 359.470 1.386 20 70 FDIDRO Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)[nH]n1 ZINC000160444606 524889942 /nfs/dbraw/zinc/88/99/42/524889942.db2.gz DEPFXMFRYOJTOI-CQSZACIVSA-N 1 0 360.462 1.004 20 70 FDIDRO CC(C)c1nnc(/C=C/C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)o1 ZINC000160523437 524908496 /nfs/dbraw/zinc/90/84/96/524908496.db2.gz XUPJLNAEUKZLCI-LJFOUZCWSA-N 1 0 370.453 1.958 20 70 FDIDRO CC(=O)N1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC000160532199 524909447 /nfs/dbraw/zinc/90/94/47/524909447.db2.gz DJIQJOFSHOEUSD-SFHVURJKSA-N 1 0 360.502 1.348 20 70 FDIDRO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160572517 524917737 /nfs/dbraw/zinc/91/77/37/524917737.db2.gz ODHSNOQBGBHUIO-GOEBONIOSA-N 1 0 367.515 1.466 20 70 FDIDRO CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160572659 524918154 /nfs/dbraw/zinc/91/81/54/524918154.db2.gz ODHSNOQBGBHUIO-ZBFHGGJFSA-N 1 0 367.515 1.466 20 70 FDIDRO CC(C)N(C)C(=O)C1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160608222 524926450 /nfs/dbraw/zinc/92/64/50/524926450.db2.gz LACUJIRIUUFNRX-QGZVFWFLSA-N 1 0 350.507 1.759 20 70 FDIDRO CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160633594 524932941 /nfs/dbraw/zinc/93/29/41/524932941.db2.gz HGCITUKHIPYZRT-JKSUJKDBSA-N 1 0 353.507 1.377 20 70 FDIDRO O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000160667912 524942473 /nfs/dbraw/zinc/94/24/73/524942473.db2.gz AGMRYTSWOHNAES-QRVBRYPASA-N 1 0 355.482 1.821 20 70 FDIDRO O=C(CCCNC(=O)c1ccsc1)NCC1CC[NH+](CCO)CC1 ZINC000160692411 524949185 /nfs/dbraw/zinc/94/91/85/524949185.db2.gz FTWJBXNPTVDQQA-UHFFFAOYSA-N 1 0 353.488 1.079 20 70 FDIDRO CN(C[C@@H](O)COCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160725836 524958044 /nfs/dbraw/zinc/95/80/44/524958044.db2.gz BRJZHCZAYSPVHK-RTBURBONSA-N 1 0 361.486 1.690 20 70 FDIDRO Cc1c(/C=C/C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cnn1C ZINC000160752174 524964834 /nfs/dbraw/zinc/96/48/34/524964834.db2.gz NTRVFUQSFQQURR-VANUVFSVSA-N 1 0 354.454 1.493 20 70 FDIDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C2(NC(N)=O)CC2)C1 ZINC000160765174 524966306 /nfs/dbraw/zinc/96/63/06/524966306.db2.gz JDXCCABAVDSKMO-GASCZTMLSA-N 1 0 358.486 1.982 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cnc(C(F)(F)F)nc1 ZINC000160785041 524970815 /nfs/dbraw/zinc/97/08/15/524970815.db2.gz MKAHAVVCMKMZHG-UONOGXRCSA-N 1 0 372.391 1.993 20 70 FDIDRO CC(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160848205 524984432 /nfs/dbraw/zinc/98/44/32/524984432.db2.gz NAXWMTMNHFVKQE-CVEARBPZSA-N 1 0 350.507 1.950 20 70 FDIDRO CCC[C@@H]1CN(C(=O)Nc2ccn(CCOC)n2)CC[N@@H+]1CCOC ZINC000160861796 524985451 /nfs/dbraw/zinc/98/54/51/524985451.db2.gz SYYXPSSTBMYCBU-OAHLLOKOSA-N 1 0 353.467 1.494 20 70 FDIDRO C[C@H](C(=O)NC1CCCC1)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160911511 524994184 /nfs/dbraw/zinc/99/41/84/524994184.db2.gz CAZWVRQSZQOOFD-GOSISDBHSA-N 1 0 350.551 1.927 20 70 FDIDRO C[C@H](NC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)C(C)(C)C[NH+](C)C ZINC000160922775 524996734 /nfs/dbraw/zinc/99/67/34/524996734.db2.gz GBPBPUZATWARMT-QWHCGFSZSA-N 1 0 371.507 1.341 20 70 FDIDRO Cc1nnnn1-c1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000160938369 525000717 /nfs/dbraw/zinc/00/07/17/525000717.db2.gz LKNJEIVOLVARDH-YOEHRIQHSA-N 1 0 355.446 1.919 20 70 FDIDRO Cc1nc2c(cnn2C)c(N2CCN(CCC[NH+]3CCCCC3)CC2)n1 ZINC000160970385 525005488 /nfs/dbraw/zinc/00/54/88/525005488.db2.gz GVSKPHYGMHAKLM-UHFFFAOYSA-N 1 0 357.506 1.670 20 70 FDIDRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000160967677 525005713 /nfs/dbraw/zinc/00/57/13/525005713.db2.gz AJSQNBZRQKSYKS-GOSISDBHSA-N 1 0 368.437 1.762 20 70 FDIDRO C[C@H]([NH3+])C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000160997226 525013642 /nfs/dbraw/zinc/01/36/42/525013642.db2.gz OCXOCTPSSHQSSW-VIFPVBQESA-N 1 0 363.277 1.465 20 70 FDIDRO CC(C)[NH2+]CCC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000161173030 525047673 /nfs/dbraw/zinc/04/76/73/525047673.db2.gz NZCRVEVXGYOLCP-UHFFFAOYSA-N 1 0 367.515 1.485 20 70 FDIDRO CCOc1ccc(C[N@H+](CCCn2ccnc2)CC(=O)NC(=O)NC)cc1 ZINC000161248180 525064484 /nfs/dbraw/zinc/06/44/84/525064484.db2.gz OAHXITQSWBWSLG-UHFFFAOYSA-N 1 0 373.457 1.630 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000161269234 525070045 /nfs/dbraw/zinc/07/00/45/525070045.db2.gz DTBSHLLQYICMRV-DGCLKSJQSA-N 1 0 359.879 1.217 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000161307328 525079347 /nfs/dbraw/zinc/07/93/47/525079347.db2.gz OKBSZXMDOSVKNW-SJLPKXTDSA-N 1 0 361.461 1.817 20 70 FDIDRO CCCC(O)(CCC)CC(=O)N1CCC[C@H](C(=O)N2CCN(C)CC2)C1 ZINC000161364754 525087922 /nfs/dbraw/zinc/08/79/22/525087922.db2.gz FCTWSIDRIJQPFH-KRWDZBQOSA-N 1 0 367.534 1.720 20 70 FDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1 ZINC000161363136 525088059 /nfs/dbraw/zinc/08/80/59/525088059.db2.gz KRBPCBPRIUPNFH-XFHNUULXSA-N 1 0 358.442 1.200 20 70 FDIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1cc(F)ccc1Cl ZINC000161417615 525104743 /nfs/dbraw/zinc/10/47/43/525104743.db2.gz INWMULAMPBDIPL-UHFFFAOYSA-N 1 0 350.843 1.462 20 70 FDIDRO C[C@H](C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000161470095 525114878 /nfs/dbraw/zinc/11/48/78/525114878.db2.gz FDLXHCFSSBCHKE-AYOQOUSVSA-N 1 0 373.497 1.479 20 70 FDIDRO O=S(=O)(N[C@H]1CCN(c2ccccn2)C1)c1ccc2c(c1)OCCO2 ZINC000218102591 537459252 /nfs/dbraw/zinc/45/92/52/537459252.db2.gz DJVAWTHVESOMSC-ZDUSSCGKSA-N 1 0 361.423 1.410 20 70 FDIDRO Cn1c2ccccc2n(CCC(=O)N2CCC([NH2+]CC3CC3)CC2)c1=O ZINC000159810316 173689238 /nfs/dbraw/zinc/68/92/38/173689238.db2.gz QKJLIYDYUDGXAZ-UHFFFAOYSA-N 1 0 356.470 1.721 20 70 FDIDRO C[C@H]1C[C@H](NC(=O)N2CCC(NC(N)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160118111 173699970 /nfs/dbraw/zinc/69/99/70/173699970.db2.gz POQZAOBPHRIQEI-YOEHRIQHSA-N 1 0 359.474 1.492 20 70 FDIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160311297 173706865 /nfs/dbraw/zinc/70/68/65/173706865.db2.gz LJBQPCLAJNKYJH-MAUKXSAKSA-N 1 0 362.474 1.612 20 70 FDIDRO Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC000159374881 524655782 /nfs/dbraw/zinc/65/57/82/524655782.db2.gz SQCRXIBNDXGONE-GOSISDBHSA-N 1 0 365.499 1.184 20 70 FDIDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1OC ZINC000159421812 524665067 /nfs/dbraw/zinc/66/50/67/524665067.db2.gz XVGKCQLVSUNQMD-OAHLLOKOSA-N 1 0 356.488 1.998 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N1CC[NH2+]CC1 ZINC000159417514 524665707 /nfs/dbraw/zinc/66/57/07/524665707.db2.gz MPRDFMRTCYTYHF-OAHLLOKOSA-N 1 0 365.499 1.604 20 70 FDIDRO COc1ccc(F)c(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000159428222 524668841 /nfs/dbraw/zinc/66/88/41/524668841.db2.gz LJPJTGQBPCOZQN-CYBMUJFWSA-N 1 0 351.422 1.867 20 70 FDIDRO O=C(CCCOc1ccc(I)cc1)N1CC[NH2+]CC1 ZINC000159434630 524669851 /nfs/dbraw/zinc/66/98/51/524669851.db2.gz LKLGJDCZNKGJDF-UHFFFAOYSA-N 1 0 374.222 1.882 20 70 FDIDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1OC ZINC000159434768 524670045 /nfs/dbraw/zinc/67/00/45/524670045.db2.gz ZNEQWOGJZUNEIW-HNNXBMFYSA-N 1 0 356.488 1.998 20 70 FDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCN1CCOCC1 ZINC000159459950 524673872 /nfs/dbraw/zinc/67/38/72/524673872.db2.gz MPWLVKXRXHXUFO-MJGOQNOKSA-N 1 0 360.502 1.528 20 70 FDIDRO Cc1ccc2ncc(C[N@@H+]3CCCC[C@H]3CCNS(C)(=O)=O)n2c1 ZINC000159470458 524678042 /nfs/dbraw/zinc/67/80/42/524678042.db2.gz SZZFSQPZEBUJRL-HNNXBMFYSA-N 1 0 350.488 1.937 20 70 FDIDRO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159479572 524680061 /nfs/dbraw/zinc/68/00/61/524680061.db2.gz HKFANWDSBNEVPB-TXEJJXNPSA-N 1 0 355.435 1.090 20 70 FDIDRO Cc1cc(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)ncn1 ZINC000159589964 524703776 /nfs/dbraw/zinc/70/37/76/524703776.db2.gz PNYZODSHOSVHQC-UHFFFAOYSA-N 1 0 361.490 1.341 20 70 FDIDRO CC(C)Oc1cc(CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)ccn1 ZINC000159669490 524716069 /nfs/dbraw/zinc/71/60/69/524716069.db2.gz UNNAJDXUHJRVNR-MRXNPFEDSA-N 1 0 363.506 1.552 20 70 FDIDRO CN1C(=O)N(CC(=O)NCC2([NH3+])CCCCC2)C(=O)C12CCCCC2 ZINC000159667635 524716176 /nfs/dbraw/zinc/71/61/76/524716176.db2.gz ZIROAIITIGFVBB-UHFFFAOYSA-N 1 0 350.463 1.361 20 70 FDIDRO CN(C)S(=O)(=O)c1ccc(OCC[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159802399 524741308 /nfs/dbraw/zinc/74/13/08/524741308.db2.gz PZOLTAJRBREBOM-PBHICJAKSA-N 1 0 356.488 1.409 20 70 FDIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000159814987 524744484 /nfs/dbraw/zinc/74/44/84/524744484.db2.gz DWDXNJMHVCQBIX-SJORKVTESA-N 1 0 359.470 1.575 20 70 FDIDRO CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000159816540 524744638 /nfs/dbraw/zinc/74/46/38/524744638.db2.gz NTBQUPOHEWQXSK-QFBILLFUSA-N 1 0 373.497 1.829 20 70 FDIDRO C[N@@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)C[C@H]1CCC[C@@H]1O ZINC000159820277 524744731 /nfs/dbraw/zinc/74/47/31/524744731.db2.gz AQUAODPJHIXYEO-MJGOQNOKSA-N 1 0 373.497 1.500 20 70 FDIDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1(C2CC2)CCC1 ZINC000159839272 524748905 /nfs/dbraw/zinc/74/89/05/524748905.db2.gz CCJKNSWROJUHSS-MRXNPFEDSA-N 1 0 350.507 1.809 20 70 FDIDRO COCC[N@H+](C)CCNC(=O)Cc1cc(OC)ccc1Br ZINC000159848665 524751163 /nfs/dbraw/zinc/75/11/63/524751163.db2.gz CIDOYMKRAAGECG-UHFFFAOYSA-N 1 0 359.264 1.695 20 70 FDIDRO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159850151 524753370 /nfs/dbraw/zinc/75/33/70/524753370.db2.gz KUUFSLOWTFMHEB-LSDHHAIUSA-N 1 0 360.458 1.666 20 70 FDIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NC(=O)NCC(F)(F)F ZINC000159925404 524768402 /nfs/dbraw/zinc/76/84/02/524768402.db2.gz PJUMGTZBRFCSHQ-UHFFFAOYSA-N 1 0 352.382 1.784 20 70 FDIDRO O=C(CCc1nc(-c2cccs2)no1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159980107 524780964 /nfs/dbraw/zinc/78/09/64/524780964.db2.gz OPRIGIKUIKBDSR-ZDUSSCGKSA-N 1 0 364.471 1.694 20 70 FDIDRO CC(C)[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCCC2)[NH+]1CCN(C)CC1 ZINC000160050739 524795953 /nfs/dbraw/zinc/79/59/53/524795953.db2.gz YKPHTUMCETYBJH-IBGZPJMESA-N 1 0 374.529 1.646 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCc2ccc(OC)nc2)CC[N@@H+]1CCOC ZINC000160077129 524804099 /nfs/dbraw/zinc/80/40/99/524804099.db2.gz HXAPBERDTNBERL-INIZCTEOSA-N 1 0 350.463 1.733 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000160086978 524804369 /nfs/dbraw/zinc/80/43/69/524804369.db2.gz BAUFRLSZBDXZFE-RBUKOAKNSA-N 1 0 363.477 1.753 20 70 FDIDRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160097785 524806651 /nfs/dbraw/zinc/80/66/51/524806651.db2.gz MPCZXBNYLFJGPG-UHFFFAOYSA-N 1 0 370.453 1.772 20 70 FDIDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C3(NC(N)=O)CC3)cc2)C[C@@H](C)O1 ZINC000160119090 524812871 /nfs/dbraw/zinc/81/28/71/524812871.db2.gz ZDFPGBJIWALFNZ-ZIAGYGMSSA-N 1 0 360.458 1.113 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Oc2cnccn2)c1 ZINC000160135622 524815752 /nfs/dbraw/zinc/81/57/52/524815752.db2.gz FMOGKFLKTRTJKB-INIZCTEOSA-N 1 0 356.426 1.846 20 70 FDIDRO C[C@@H]1C[C@H](NC(=O)N(C)CC(=O)N2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000160140370 524818962 /nfs/dbraw/zinc/81/89/62/524818962.db2.gz AXFRQVKTRRAXRH-AEFFLSMTSA-N 1 0 374.485 1.150 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc2c1OCCO2 ZINC000160158677 524820174 /nfs/dbraw/zinc/82/01/74/524820174.db2.gz RDEMAZCMLNHUHT-DLBZAZTESA-N 1 0 360.454 1.956 20 70 FDIDRO CCC[C@H]([NH2+]C1CCN(C(N)=O)CC1)C(=O)N1CCc2sccc2C1 ZINC000160161145 524822679 /nfs/dbraw/zinc/82/26/79/524822679.db2.gz UBDXHXYYJHXNFF-HNNXBMFYSA-N 1 0 364.515 1.934 20 70 FDIDRO COc1ccccc1N1C(=O)C[C@H]([N@H+](C)CCCn2ccnc2C)C1=O ZINC000160265413 524843788 /nfs/dbraw/zinc/84/37/88/524843788.db2.gz FSLAEFFLJDYAHZ-INIZCTEOSA-N 1 0 356.426 1.854 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCC(=O)N2CCCCC2)CC[N@@H+]1CCOC ZINC000160327834 524858325 /nfs/dbraw/zinc/85/83/25/524858325.db2.gz RKPGKUUBRWHUDW-INIZCTEOSA-N 1 0 354.495 1.141 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)co1 ZINC000160368470 524868780 /nfs/dbraw/zinc/86/87/80/524868780.db2.gz QNTOHLIJJNKNDR-AWEZNQCLSA-N 1 0 369.418 1.360 20 70 FDIDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc([S@](C)=O)cc1 ZINC000160407773 524880363 /nfs/dbraw/zinc/88/03/63/524880363.db2.gz OZBHJNVJCRRWNH-LFPIHBKWSA-N 1 0 351.516 1.627 20 70 FDIDRO CCS(=O)(=O)c1cccc(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000160421098 524884037 /nfs/dbraw/zinc/88/40/37/524884037.db2.gz YRXBWOREVPWSNH-GDBMZVCRSA-N 1 0 352.500 1.964 20 70 FDIDRO COCC[N@H+](C)CCCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000160432221 524886432 /nfs/dbraw/zinc/88/64/32/524886432.db2.gz XDUOAIZQNFMYGU-UHFFFAOYSA-N 1 0 351.422 1.651 20 70 FDIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000160428318 524887923 /nfs/dbraw/zinc/88/79/23/524887923.db2.gz MHTZBOZUFXYULZ-LBPRGKRZSA-N 1 0 369.263 1.773 20 70 FDIDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)[N@H+](C)C1CC1 ZINC000160430742 524887970 /nfs/dbraw/zinc/88/79/70/524887970.db2.gz LRBMJMHLJQIVKV-SECBINFHSA-N 1 0 355.236 1.382 20 70 FDIDRO COC(=O)c1[nH]c(C)c(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1C ZINC000160456771 524893292 /nfs/dbraw/zinc/89/32/92/524893292.db2.gz PGNRWQRWVOTSSZ-HNNXBMFYSA-N 1 0 364.490 1.420 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(OCC(F)(F)F)nc1 ZINC000160474166 524898584 /nfs/dbraw/zinc/89/85/84/524898584.db2.gz TWKMCTLVCFGCEX-ZDUSSCGKSA-N 1 0 361.364 1.599 20 70 FDIDRO C[NH+](C)CCn1nnnc1S[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160482333 524900382 /nfs/dbraw/zinc/90/03/82/524900382.db2.gz JHPINVZQZLBEJL-CQSZACIVSA-N 1 0 364.450 1.662 20 70 FDIDRO COC(=O)c1[nH]c(C)c(C(=O)NCC2CC[NH+](CCN(C)C)CC2)c1C ZINC000160498874 524903677 /nfs/dbraw/zinc/90/36/77/524903677.db2.gz OPBFLEJMAKPBAW-UHFFFAOYSA-N 1 0 364.490 1.422 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cnn(-c2ccccc2)n1 ZINC000160552609 524914452 /nfs/dbraw/zinc/91/44/52/524914452.db2.gz JHMQFXDWLZTIOP-MOPGFXCFSA-N 1 0 369.469 1.765 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cnn(-c2ccccc2)n1 ZINC000160552860 524914467 /nfs/dbraw/zinc/91/44/67/524914467.db2.gz JHMQFXDWLZTIOP-RTBURBONSA-N 1 0 369.469 1.765 20 70 FDIDRO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160602416 524927851 /nfs/dbraw/zinc/92/78/51/524927851.db2.gz OPRJBBMZDCIFIE-MRXNPFEDSA-N 1 0 367.515 1.323 20 70 FDIDRO O=C(Cc1ccc2c(c1)OCCO2)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160666416 524941825 /nfs/dbraw/zinc/94/18/25/524941825.db2.gz WUXCKQFAGDTYSI-ROUUACIJSA-N 1 0 374.481 1.884 20 70 FDIDRO O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160673524 524944621 /nfs/dbraw/zinc/94/46/21/524944621.db2.gz GSAAKTMOYKSTGO-IAGOWNOFSA-N 1 0 356.470 1.855 20 70 FDIDRO CNC(=O)c1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160679822 524947483 /nfs/dbraw/zinc/94/74/83/524947483.db2.gz NCTRRKTYCGRWRD-ZWKOTPCHSA-N 1 0 359.470 1.544 20 70 FDIDRO O=C(COc1ccccc1O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000160709791 524953868 /nfs/dbraw/zinc/95/38/68/524953868.db2.gz WOKIDUGBDNEOGC-SJORKVTESA-N 1 0 356.422 1.523 20 70 FDIDRO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160734976 524960244 /nfs/dbraw/zinc/96/02/44/524960244.db2.gz BFWVALRWFUANNH-DLBZAZTESA-N 1 0 350.507 1.665 20 70 FDIDRO Cc1c(/C=C/C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cnn1C ZINC000160752411 524963475 /nfs/dbraw/zinc/96/34/75/524963475.db2.gz NTRVFUQSFQQURR-WARJXXDVSA-N 1 0 354.454 1.493 20 70 FDIDRO CC(C)CC(=O)NCCC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000160757589 524964280 /nfs/dbraw/zinc/96/42/80/524964280.db2.gz YDDSYIOZGSFKBF-UHFFFAOYSA-N 1 0 361.490 1.002 20 70 FDIDRO Cc1c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cccc1S(N)(=O)=O ZINC000160769452 524966050 /nfs/dbraw/zinc/96/60/50/524966050.db2.gz BVQQDULZSTUODV-UKRRQHHQSA-N 1 0 351.472 1.199 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cnc(C(F)(F)F)nc1 ZINC000160784681 524969994 /nfs/dbraw/zinc/96/99/94/524969994.db2.gz MKAHAVVCMKMZHG-KGLIPLIRSA-N 1 0 372.391 1.993 20 70 FDIDRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCCCCC[C@H]1[NH3+])CC2 ZINC000160880936 524987714 /nfs/dbraw/zinc/98/77/14/524987714.db2.gz TWXDHYSGLWESKV-JKSUJKDBSA-N 1 0 365.499 1.782 20 70 FDIDRO C[NH2+]C[C@H](C)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000160877883 524988804 /nfs/dbraw/zinc/98/88/04/524988804.db2.gz PQKKJLUEBUMERP-ZDUSSCGKSA-N 1 0 373.544 1.437 20 70 FDIDRO CN(C)c1ccc(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000160900618 524992198 /nfs/dbraw/zinc/99/21/98/524992198.db2.gz NDGXMRDUNDTYOK-JWTNVVGKSA-N 1 0 372.517 1.922 20 70 FDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000160903216 524992786 /nfs/dbraw/zinc/99/27/86/524992786.db2.gz SHRONYICZQSJTO-MRXNPFEDSA-N 1 0 361.490 1.359 20 70 FDIDRO CN(C(=O)Cn1ccccc1=O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160927362 524998920 /nfs/dbraw/zinc/99/89/20/524998920.db2.gz YGLAEYGVJANQNS-UHFFFAOYSA-N 1 0 355.438 1.986 20 70 FDIDRO CCN(C)C(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160951975 525003023 /nfs/dbraw/zinc/00/30/23/525003023.db2.gz TXTTXWAMBYIFIX-MRXNPFEDSA-N 1 0 355.442 1.747 20 70 FDIDRO Cc1ccc(O)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1 ZINC000161014537 525016277 /nfs/dbraw/zinc/01/62/77/525016277.db2.gz HZMZMMNGIZXDEI-SFHVURJKSA-N 1 0 369.465 1.720 20 70 FDIDRO CNC(=O)COc1cccc(CC(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000161191937 525049703 /nfs/dbraw/zinc/04/97/03/525049703.db2.gz PGXCAPCIXMQSIE-UHFFFAOYSA-N 1 0 361.486 1.591 20 70 FDIDRO CC(C)[C@@H]1C(=O)NCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161200767 525054041 /nfs/dbraw/zinc/05/40/41/525054041.db2.gz UVJMRUBTALJAAM-MAUKXSAKSA-N 1 0 373.501 1.773 20 70 FDIDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000161251536 525064108 /nfs/dbraw/zinc/06/41/08/525064108.db2.gz QQJNVBOEZAFKPC-CALCHBBNSA-N 1 0 351.516 1.866 20 70 FDIDRO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000161252361 525066263 /nfs/dbraw/zinc/06/62/63/525066263.db2.gz JIDKDVNCRSGYFS-HNNXBMFYSA-N 1 0 355.442 1.638 20 70 FDIDRO Cn1ncc2c1ncnc2N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000161384448 525097568 /nfs/dbraw/zinc/09/75/68/525097568.db2.gz HMKKUZPJDRUUME-INIZCTEOSA-N 1 0 367.457 1.064 20 70 FDIDRO COC(=O)c1cccc(NC(=O)CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000161402550 525101357 /nfs/dbraw/zinc/10/13/57/525101357.db2.gz IHSDUVQEMBHFER-UHFFFAOYSA-N 1 0 354.410 1.629 20 70 FDIDRO O=S(=O)(Cc1cccc2cccnc21)NCC1CC[NH+](CCO)CC1 ZINC000161400550 525101506 /nfs/dbraw/zinc/10/15/06/525101506.db2.gz YRIJZXUATFUDLV-UHFFFAOYSA-N 1 0 363.483 1.359 20 70 FDIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1cc(Cl)ccc1Cl ZINC000161408439 525103502 /nfs/dbraw/zinc/10/35/02/525103502.db2.gz QTTIUDYOZOUDMR-UHFFFAOYSA-N 1 0 367.298 1.976 20 70 FDIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccc(F)cc1Cl ZINC000161415167 525105105 /nfs/dbraw/zinc/10/51/05/525105105.db2.gz MKEFXGGMTKRBFE-UHFFFAOYSA-N 1 0 350.843 1.462 20 70 FDIDRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)CC1 ZINC000161446988 525109990 /nfs/dbraw/zinc/10/99/90/525109990.db2.gz PQMCMUOHBLFYNY-MRXNPFEDSA-N 1 0 358.446 1.403 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000161463950 525114633 /nfs/dbraw/zinc/11/46/33/525114633.db2.gz QGWAWVIZTXZMKN-GFCCVEGCSA-N 1 0 374.812 1.950 20 70 FDIDRO Cc1c(C(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)nnn1C1CC[NH2+]CC1 ZINC000161508459 525120913 /nfs/dbraw/zinc/12/09/13/525120913.db2.gz PLQANCJOJPCLQX-SUMWQHHRSA-N 1 0 357.458 1.753 20 70 FDIDRO Cc1c(C(=O)N[C@@H](C)C[C@H](O)c2ccccc2)nnn1C1CC[NH2+]CC1 ZINC000161508230 525121334 /nfs/dbraw/zinc/12/13/34/525121334.db2.gz PLQANCJOJPCLQX-GUYCJALGSA-N 1 0 357.458 1.753 20 70 FDIDRO O=C(NCCc1ccccc1Br)NCCN1CC[NH2+]CC1 ZINC000217383905 537454452 /nfs/dbraw/zinc/45/44/52/537454452.db2.gz MRKFOGGJAAIUKN-UHFFFAOYSA-N 1 0 355.280 1.196 20 70 FDIDRO Cc1cc(S(=O)(=O)F)cnc1N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164932551 721889782 /nfs/dbraw/zinc/88/97/82/721889782.db2.gz JAPHYWZQMMQUPG-GJZGRUSLSA-N 1 0 356.467 1.263 20 70 FDIDRO CC(=O)NC1CCC([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000161302866 258263544 /nfs/dbraw/zinc/26/35/44/258263544.db2.gz AVEGBZYGNOAWSK-UHFFFAOYSA-N 1 0 353.488 1.474 20 70 FDIDRO Cn1cc([C@@]2(C)CN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CCO2)cn1 ZINC000161125290 258263595 /nfs/dbraw/zinc/26/35/95/258263595.db2.gz JURLRWXMEIENSQ-QFBILLFUSA-N 1 0 361.490 1.694 20 70 FDIDRO NC(=O)Nc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160185036 173701810 /nfs/dbraw/zinc/70/18/10/173701810.db2.gz DIOARAUZXTXYIB-DLBZAZTESA-N 1 0 360.458 1.675 20 70 FDIDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccn(CC(F)(F)F)n1 ZINC000160473770 173712777 /nfs/dbraw/zinc/71/27/77/173712777.db2.gz SSUGSFVGHXFZBF-LBPRGKRZSA-N 1 0 363.384 1.804 20 70 FDIDRO Cc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1F ZINC000161424747 173740923 /nfs/dbraw/zinc/74/09/23/173740923.db2.gz VIDHCNUXWLKAAA-CQSZACIVSA-N 1 0 358.479 1.847 20 70 FDIDRO C[C@H]1C[NH+](CCCNC(=O)CCNC(=O)C2CCCCC2)C[C@H](C)O1 ZINC000159392476 524660756 /nfs/dbraw/zinc/66/07/56/524660756.db2.gz DOPVQCZIMBFPTQ-HOTGVXAUSA-N 1 0 353.507 1.689 20 70 FDIDRO CCN(C(=O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1 ZINC000159405656 524662662 /nfs/dbraw/zinc/66/26/62/524662662.db2.gz WRNTVVXNPQNDJY-SFHVURJKSA-N 1 0 358.486 1.454 20 70 FDIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)NCC2CCCCC2)CC1 ZINC000159414680 524663583 /nfs/dbraw/zinc/66/35/83/524663583.db2.gz KSMGVCQUKAWZRL-KRWDZBQOSA-N 1 0 350.507 1.097 20 70 FDIDRO C[NH+]1CCN(c2cc(C(=O)NC[C@@]3(O)CCc4ccccc43)ccn2)CC1 ZINC000159414416 524664699 /nfs/dbraw/zinc/66/46/99/524664699.db2.gz MQKMWQHEBJCVBO-NRFANRHFSA-N 1 0 366.465 1.397 20 70 FDIDRO Cc1ccc(NC(=O)CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(C)c1 ZINC000159426895 524667507 /nfs/dbraw/zinc/66/75/07/524667507.db2.gz DCNGOWTWPSNGEP-GOSISDBHSA-N 1 0 358.486 1.656 20 70 FDIDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCNc2nccc(C(F)(F)F)n2)C1 ZINC000159450306 524672333 /nfs/dbraw/zinc/67/23/33/524672333.db2.gz NVSYWTIGLZXGCK-LLVKDONJSA-N 1 0 360.384 1.548 20 70 FDIDRO COCC[NH+]1[C@H](C)CN(C(=O)Nc2cccc(-n3nnnc3C)c2)C[C@H]1C ZINC000159470085 524679547 /nfs/dbraw/zinc/67/95/47/524679547.db2.gz MOOJEAPLTLNEJN-ZIAGYGMSSA-N 1 0 373.461 1.544 20 70 FDIDRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Cc2cc(F)c(F)cc2F)CC1 ZINC000159513071 524687128 /nfs/dbraw/zinc/68/71/28/524687128.db2.gz FKCICPJJRSTJCJ-UHFFFAOYSA-N 1 0 371.403 1.563 20 70 FDIDRO Cn1c2ccc(C(=O)N3CC[C@H](OCC[NH+]4CCCCC4)C3)cc2[nH]c1=O ZINC000159575580 524700043 /nfs/dbraw/zinc/70/00/43/524700043.db2.gz KFRINODIVIDAKG-INIZCTEOSA-N 1 0 372.469 1.584 20 70 FDIDRO C[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)CN1CCOCC1 ZINC000159586768 524701689 /nfs/dbraw/zinc/70/16/89/524701689.db2.gz PRBZZFPRXOKNRK-QZTJIDSGSA-N 1 0 362.518 1.774 20 70 FDIDRO Cc1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c(=O)[nH]c1C ZINC000159626597 524710461 /nfs/dbraw/zinc/71/04/61/524710461.db2.gz ZTCUJCSHFDRTFC-UHFFFAOYSA-N 1 0 364.396 1.869 20 70 FDIDRO C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCC[NH2+]C2CCCCCC2)C1=O ZINC000159631206 524712194 /nfs/dbraw/zinc/71/21/94/524712194.db2.gz ICERHXYFBRRUMU-SFHVURJKSA-N 1 0 350.463 1.136 20 70 FDIDRO C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159633918 524712741 /nfs/dbraw/zinc/71/27/41/524712741.db2.gz HZWHPGGCXFMILQ-OAHLLOKOSA-N 1 0 367.515 1.782 20 70 FDIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000159813512 524742181 /nfs/dbraw/zinc/74/21/81/524742181.db2.gz CKSOZRMAKYYGSS-QGZVFWFLSA-N 1 0 373.497 1.823 20 70 FDIDRO CC(=O)N1CC[C@H](CN(C)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000159828322 524747898 /nfs/dbraw/zinc/74/78/98/524747898.db2.gz UCUCNMSMEVNOSP-RTBURBONSA-N 1 0 360.502 1.669 20 70 FDIDRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159857526 524755745 /nfs/dbraw/zinc/75/57/45/524755745.db2.gz MAHJAQUNLHCBPW-KBPBESRZSA-N 1 0 358.446 1.788 20 70 FDIDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCNC2=O)cc1 ZINC000159870675 524758482 /nfs/dbraw/zinc/75/84/82/524758482.db2.gz VLIFJWKRZXHMAY-OLZOCXBDSA-N 1 0 357.414 1.065 20 70 FDIDRO C[N@@H+]([C@@H]1CCCN(CC(F)(F)F)C1=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000159888050 524759385 /nfs/dbraw/zinc/75/93/85/524759385.db2.gz DSVRDVMHJLWZPM-UONOGXRCSA-N 1 0 371.407 1.931 20 70 FDIDRO C[NH+]1CCC(CNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000159912490 524767594 /nfs/dbraw/zinc/76/75/94/524767594.db2.gz NIQQRAJJVDGKQM-UHFFFAOYSA-N 1 0 372.513 1.573 20 70 FDIDRO CN1C(=O)C[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000159907888 524767608 /nfs/dbraw/zinc/76/76/08/524767608.db2.gz ATWJIKOXYSBODW-LNLFQRSKSA-N 1 0 359.470 1.169 20 70 FDIDRO O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159991439 524785471 /nfs/dbraw/zinc/78/54/71/524785471.db2.gz NMVDNCHIUYGICW-OALUTQOASA-N 1 0 373.497 1.183 20 70 FDIDRO CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)n1nnc(-c2ccccc2)n1 ZINC000160005862 524787673 /nfs/dbraw/zinc/78/76/73/524787673.db2.gz ANGATJJXRYBOIB-IXDOHACOSA-N 1 0 354.458 1.890 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000160020540 524789710 /nfs/dbraw/zinc/78/97/10/524789710.db2.gz IDRITZVLILQDAY-KRWDZBQOSA-N 1 0 356.426 1.018 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000160038291 524795285 /nfs/dbraw/zinc/79/52/85/524795285.db2.gz WWAUQDBIYOLRBN-RYUDHWBXSA-N 1 0 352.435 1.099 20 70 FDIDRO CCOc1cccc2c1OC[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)C2 ZINC000160043942 524797854 /nfs/dbraw/zinc/79/78/54/524797854.db2.gz IRYJISLXQTWRPL-DLBZAZTESA-N 1 0 362.470 1.599 20 70 FDIDRO CC(=O)N[C@@H](CC(=O)NCC(C)(C)[NH3+])c1ccc(Br)cc1 ZINC000160087779 524804438 /nfs/dbraw/zinc/80/44/38/524804438.db2.gz ZVYAZNZDXQQSHD-ZDUSSCGKSA-N 1 0 356.264 1.870 20 70 FDIDRO O=C(COc1cccc(Br)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160131641 524815638 /nfs/dbraw/zinc/81/56/38/524815638.db2.gz RRFAMINFNCPYLE-CQSZACIVSA-N 1 0 371.275 1.791 20 70 FDIDRO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)c1 ZINC000160165582 524822552 /nfs/dbraw/zinc/82/25/52/524822552.db2.gz YIVYICCRQUZLTO-QGZVFWFLSA-N 1 0 352.438 1.788 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(c2ccc(F)cc2)CCOCC1 ZINC000160237649 524838477 /nfs/dbraw/zinc/83/84/77/524838477.db2.gz AANWEYOOVHORIQ-SFHVURJKSA-N 1 0 364.461 1.837 20 70 FDIDRO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160247580 524840812 /nfs/dbraw/zinc/84/08/12/524840812.db2.gz NYTSUGVKCZEWCR-QUCCMNQESA-N 1 0 371.481 1.914 20 70 FDIDRO Cc1cccc2c(CCC(=O)N3CCN(C(=O)C[NH+](C)C)CC3)c[nH]c21 ZINC000160265741 524846262 /nfs/dbraw/zinc/84/62/62/524846262.db2.gz BRHKYMAYAJUZBQ-UHFFFAOYSA-N 1 0 356.470 1.641 20 70 FDIDRO Cn1cnc2cc(C(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)cnc21 ZINC000160281486 524847408 /nfs/dbraw/zinc/84/74/08/524847408.db2.gz HQQOBYIUBXLSKC-UHFFFAOYSA-N 1 0 356.474 1.257 20 70 FDIDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c1 ZINC000160297708 524851862 /nfs/dbraw/zinc/85/18/62/524851862.db2.gz BIPVBMPOWOUUEX-GXTWGEPZSA-N 1 0 373.457 1.925 20 70 FDIDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c1 ZINC000160297990 524852766 /nfs/dbraw/zinc/85/27/66/524852766.db2.gz BIPVBMPOWOUUEX-TZMCWYRMSA-N 1 0 373.457 1.925 20 70 FDIDRO CC(C)c1nc(N(C)C)nc(N2CCC(OCCC[NH+](C)C)CC2)n1 ZINC000160344058 524862336 /nfs/dbraw/zinc/86/23/36/524862336.db2.gz OYMRRBIIMAYWMU-UHFFFAOYSA-N 1 0 350.511 1.998 20 70 FDIDRO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(=O)[nH]c1C ZINC000160370075 524868841 /nfs/dbraw/zinc/86/88/41/524868841.db2.gz QXDRBVCZDYUSKO-LRDDRELGSA-N 1 0 355.442 1.422 20 70 FDIDRO COc1ccccc1NCC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160439860 524889855 /nfs/dbraw/zinc/88/98/55/524889855.db2.gz ONFUOJFLTSBUIP-ROUUACIJSA-N 1 0 369.465 1.859 20 70 FDIDRO Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000160460595 524894541 /nfs/dbraw/zinc/89/45/41/524894541.db2.gz HNAIEWAGVNPEEF-UONOGXRCSA-N 1 0 353.488 1.493 20 70 FDIDRO Cc1ccc(F)c(OCC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000160487162 524900882 /nfs/dbraw/zinc/90/08/82/524900882.db2.gz FHNOHBXLHBVMRC-INIZCTEOSA-N 1 0 363.433 1.454 20 70 FDIDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000160495769 524901832 /nfs/dbraw/zinc/90/18/32/524901832.db2.gz QCJZBDSTHKFGLK-IBGZPJMESA-N 1 0 365.518 1.783 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccnc(-n2cccn2)c1 ZINC000160519136 524908016 /nfs/dbraw/zinc/90/80/16/524908016.db2.gz GMXVRYBTSJZWJI-ROUUACIJSA-N 1 0 369.469 1.765 20 70 FDIDRO O=C(CS(=O)(=O)C1CCCC1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160572505 524918335 /nfs/dbraw/zinc/91/83/35/524918335.db2.gz GGZRDFGZTIRTMV-IRXDYDNUSA-N 1 0 372.531 1.228 20 70 FDIDRO O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCC1CC[NH+](CCO)CC1 ZINC000160598599 524925851 /nfs/dbraw/zinc/92/58/51/524925851.db2.gz PRFUYVMYWVQFNN-QGZVFWFLSA-N 1 0 359.470 1.398 20 70 FDIDRO CC(C)(C)C(=O)NCCC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160630523 524933699 /nfs/dbraw/zinc/93/36/99/524933699.db2.gz ZCBXXQUGZXURBK-IRXDYDNUSA-N 1 0 361.486 1.290 20 70 FDIDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cncc(I)c1 ZINC000160668693 524943296 /nfs/dbraw/zinc/94/32/96/524943296.db2.gz GBXPERBCLPBGQP-SNVBAGLBSA-N 1 0 371.222 1.900 20 70 FDIDRO CNC(=O)c1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160679703 524948101 /nfs/dbraw/zinc/94/81/01/524948101.db2.gz NCTRRKTYCGRWRD-QZTJIDSGSA-N 1 0 359.470 1.544 20 70 FDIDRO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ncc(Cl)n1C ZINC000160689024 524949647 /nfs/dbraw/zinc/94/96/47/524949647.db2.gz HGKPUBSDLKYBTC-OAHLLOKOSA-N 1 0 363.893 1.924 20 70 FDIDRO CCN(CC)C(=O)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160686994 524950194 /nfs/dbraw/zinc/95/01/94/524950194.db2.gz JZCWVEJAPGZACW-SFHVURJKSA-N 1 0 361.486 1.745 20 70 FDIDRO COc1ccc(Br)c(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160721068 524956404 /nfs/dbraw/zinc/95/64/04/524956404.db2.gz BJIRQZOSOOCXQV-UHFFFAOYSA-N 1 0 371.275 1.892 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000160738106 524960760 /nfs/dbraw/zinc/96/07/60/524960760.db2.gz OCVYUJJBIGGSSK-INIZCTEOSA-N 1 0 365.499 1.054 20 70 FDIDRO NC(=O)[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)Cc1ccc(F)cc1 ZINC000160772092 524966574 /nfs/dbraw/zinc/96/65/74/524966574.db2.gz GTXGAXNVXMCXEB-RDJZCZTQSA-N 1 0 362.449 1.253 20 70 FDIDRO Cc1c(CCC(=O)NCc2cccnc2N2CC[NH+](C)CC2)cnn1C ZINC000160786356 524969725 /nfs/dbraw/zinc/96/97/25/524969725.db2.gz GFSNEIQQNUQYGW-UHFFFAOYSA-N 1 0 356.474 1.124 20 70 FDIDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000160888235 524990935 /nfs/dbraw/zinc/99/09/35/524990935.db2.gz WVJLHUZSEMQAOZ-OLZOCXBDSA-N 1 0 357.480 1.095 20 70 FDIDRO Cc1cc(C[C@H](C)NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[nH]n1 ZINC000161141697 525041212 /nfs/dbraw/zinc/04/12/12/525041212.db2.gz HOISIMFZHVJTLP-HNNXBMFYSA-N 1 0 355.486 1.827 20 70 FDIDRO COc1ccccc1O[C@H](C)CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000161153860 525043421 /nfs/dbraw/zinc/04/34/21/525043421.db2.gz PSVRLCMGCXSXDQ-CYBMUJFWSA-N 1 0 359.430 1.409 20 70 FDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000161216504 525057453 /nfs/dbraw/zinc/05/74/53/525057453.db2.gz HNXFGWUHWHTNEH-OAHLLOKOSA-N 1 0 371.503 1.770 20 70 FDIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000161261480 525068074 /nfs/dbraw/zinc/06/80/74/525068074.db2.gz LSYQDNCMEDEEPI-SFHVURJKSA-N 1 0 363.502 1.950 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cnn1-c1ccccc1F ZINC000161289815 525074073 /nfs/dbraw/zinc/07/40/73/525074073.db2.gz KCBOGPAIHYPSAG-ZDUSSCGKSA-N 1 0 359.405 1.326 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCc2cccc(OC)n2)CC[N@@H+]1CCOC ZINC000161361429 525089390 /nfs/dbraw/zinc/08/93/90/525089390.db2.gz NDIHPAZQGSZVPZ-MRXNPFEDSA-N 1 0 350.463 1.733 20 70 FDIDRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc1 ZINC000161404060 525101008 /nfs/dbraw/zinc/10/10/08/525101008.db2.gz ZELGKQBMLZVJBF-WTTBNOFXSA-N 1 0 365.499 1.105 20 70 FDIDRO Cc1cc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1F ZINC000161459532 525114088 /nfs/dbraw/zinc/11/40/88/525114088.db2.gz FFAALTBIJWJXBA-AWEZNQCLSA-N 1 0 358.479 1.847 20 70 FDIDRO Cc1ccc([C@H](CNC(=O)CN2CCC(=O)NC2=O)[NH+]2CCCC2)cc1 ZINC000216966462 537452778 /nfs/dbraw/zinc/45/27/78/537452778.db2.gz FLTDDBYJVGYFOY-INIZCTEOSA-N 1 0 358.442 1.190 20 70 FDIDRO Cc1ccccc1[C@H](C)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000159656315 173684968 /nfs/dbraw/zinc/68/49/68/173684968.db2.gz UHCCDZPKPLAPDX-INIZCTEOSA-N 1 0 367.515 1.687 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NCCC[NH3+] ZINC000160121971 173699932 /nfs/dbraw/zinc/69/99/32/173699932.db2.gz UQHQEPYUPOTZER-AWEZNQCLSA-N 1 0 353.488 1.637 20 70 FDIDRO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000159363644 524652245 /nfs/dbraw/zinc/65/22/45/524652245.db2.gz ICGAJOONDSWEKT-ZDUSSCGKSA-N 1 0 373.544 1.155 20 70 FDIDRO COCCOc1cccc(CNC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159450622 524672471 /nfs/dbraw/zinc/67/24/71/524672471.db2.gz MWGSEGACQYHJIM-WMZOPIPTSA-N 1 0 350.459 1.421 20 70 FDIDRO CNC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000159462609 524675666 /nfs/dbraw/zinc/67/56/66/524675666.db2.gz DWRTURMJWGRCIS-CQSZACIVSA-N 1 0 360.458 1.079 20 70 FDIDRO C[NH+]1CCN(Cc2cccc(C(=O)NC[C@H](O)c3ccsc3)c2)CC1 ZINC000159558115 524698405 /nfs/dbraw/zinc/69/84/05/524698405.db2.gz VQEDSKMPTZWOLY-SFHVURJKSA-N 1 0 359.495 1.959 20 70 FDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000159573217 524699164 /nfs/dbraw/zinc/69/91/64/524699164.db2.gz PCPVHPGYQMQRKM-UWVGGRQHSA-N 1 0 362.211 1.931 20 70 FDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000159573365 524699851 /nfs/dbraw/zinc/69/98/51/524699851.db2.gz PCPVHPGYQMQRKM-ZJUUUORDSA-N 1 0 362.211 1.931 20 70 FDIDRO CCOc1ccc(OCCNC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159629514 524709804 /nfs/dbraw/zinc/70/98/04/524709804.db2.gz PQCOYIHARXUODI-YJBOKZPZSA-N 1 0 350.459 1.673 20 70 FDIDRO CCn1cc(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cn1 ZINC000159755206 524732316 /nfs/dbraw/zinc/73/23/16/524732316.db2.gz JLJXQRVNDITCRX-UHFFFAOYSA-N 1 0 355.442 1.472 20 70 FDIDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@]3(C)CCCS3)cn2)CC1 ZINC000159754780 524732985 /nfs/dbraw/zinc/73/29/85/524732985.db2.gz JYCNKSQCOJWIGZ-GOSISDBHSA-N 1 0 363.531 1.918 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCCCNC(=O)c2ccc(F)cc2)CC1 ZINC000159844219 524750335 /nfs/dbraw/zinc/75/03/35/524750335.db2.gz AJZOJCRMOILAKD-UHFFFAOYSA-N 1 0 350.438 1.683 20 70 FDIDRO O=C(NC[C@@H]1CCCS1(=O)=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000159860453 524755234 /nfs/dbraw/zinc/75/52/34/524755234.db2.gz SIVOZTIXRNQYDK-INIZCTEOSA-N 1 0 357.520 1.660 20 70 FDIDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)cc1 ZINC000159867333 524757318 /nfs/dbraw/zinc/75/73/18/524757318.db2.gz JORZLXKEXFDYLU-UONOGXRCSA-N 1 0 373.457 1.747 20 70 FDIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000159873495 524758845 /nfs/dbraw/zinc/75/88/45/524758845.db2.gz QOQLWLIHXJZESA-HZPDHXFCSA-N 1 0 362.474 1.229 20 70 FDIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(F)cc1Br ZINC000159928608 524770169 /nfs/dbraw/zinc/77/01/69/524770169.db2.gz WCYRWJSGGXQTPB-NSHDSACASA-N 1 0 351.241 1.946 20 70 FDIDRO O=C(NCCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1c(F)cccc1F ZINC000160019392 524789670 /nfs/dbraw/zinc/78/96/70/524789670.db2.gz JGTUQTAKVQLYOM-MRXNPFEDSA-N 1 0 359.376 1.525 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(C)(C)[NH3+])C2)cc1 ZINC000160022680 524792485 /nfs/dbraw/zinc/79/24/85/524792485.db2.gz CPRVTXIVKACPBI-CQSZACIVSA-N 1 0 353.488 1.249 20 70 FDIDRO CC(C)([NH3+])CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000160042790 524794626 /nfs/dbraw/zinc/79/46/26/524794626.db2.gz MKXSSVZIRNIVIK-GFCCVEGCSA-N 1 0 355.385 1.746 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000160038182 524795221 /nfs/dbraw/zinc/79/52/21/524795221.db2.gz WWAUQDBIYOLRBN-VXGBXAGGSA-N 1 0 352.435 1.099 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(CN2CCOCC2)c1 ZINC000160065600 524800848 /nfs/dbraw/zinc/80/08/48/524800848.db2.gz LKNHWRJANUPURV-IBGZPJMESA-N 1 0 361.486 1.095 20 70 FDIDRO CC(C)[C@H](C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)[NH+](C)C ZINC000160129172 524816082 /nfs/dbraw/zinc/81/60/82/524816082.db2.gz RKPMEWITIJWMBD-ZHALLVOQSA-N 1 0 366.550 1.221 20 70 FDIDRO COC(=O)c1cccc(CS(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000160153287 524819757 /nfs/dbraw/zinc/81/97/57/524819757.db2.gz JUMBEBQQZDDWKT-UHFFFAOYSA-N 1 0 366.483 1.767 20 70 FDIDRO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160247340 524840275 /nfs/dbraw/zinc/84/02/75/524840275.db2.gz NYTSUGVKCZEWCR-ICSRJNTNSA-N 1 0 371.481 1.914 20 70 FDIDRO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160247723 524841298 /nfs/dbraw/zinc/84/12/98/524841298.db2.gz NYTSUGVKCZEWCR-UYAOXDASSA-N 1 0 371.481 1.914 20 70 FDIDRO O=C(CCc1nc(-c2ccsc2)no1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160357532 524866324 /nfs/dbraw/zinc/86/63/24/524866324.db2.gz HBKSIFGUFOWXSQ-CQSZACIVSA-N 1 0 364.471 1.694 20 70 FDIDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2c(CC)c(CC)n[nH]c2=O)C1 ZINC000160357654 524866937 /nfs/dbraw/zinc/86/69/37/524866937.db2.gz KCUWIPFVSOLPOX-CQSZACIVSA-N 1 0 363.506 1.768 20 70 FDIDRO O=C(CNC(=O)c1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160379122 524874124 /nfs/dbraw/zinc/87/41/24/524874124.db2.gz HCBALBBAIPGOHP-ROUUACIJSA-N 1 0 359.470 1.301 20 70 FDIDRO O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000160391290 524876628 /nfs/dbraw/zinc/87/66/28/524876628.db2.gz OGLVAJXYZXOHTB-IAGOWNOFSA-N 1 0 365.474 1.990 20 70 FDIDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000160408182 524879935 /nfs/dbraw/zinc/87/99/35/524879935.db2.gz OZBHJNVJCRRWNH-SHACYNPGSA-N 1 0 351.516 1.627 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000160416714 524883359 /nfs/dbraw/zinc/88/33/59/524883359.db2.gz FSALTFTWGBENQI-CYBMUJFWSA-N 1 0 352.435 1.053 20 70 FDIDRO CC(C)(O)C[NH+]1CCN(C(=O)NCCOCc2ccc(Cl)cc2)CC1 ZINC000160511977 524906118 /nfs/dbraw/zinc/90/61/18/524906118.db2.gz QOQODTUFYIMKCY-UHFFFAOYSA-N 1 0 369.893 1.955 20 70 FDIDRO COc1c(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(C)nn1C ZINC000160513946 524906330 /nfs/dbraw/zinc/90/63/30/524906330.db2.gz RMMODGHBUYOFRL-JKSUJKDBSA-N 1 0 358.442 1.102 20 70 FDIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000160607962 524927669 /nfs/dbraw/zinc/92/76/69/524927669.db2.gz YSYGPOIRNGWRSU-QGZVFWFLSA-N 1 0 372.469 1.344 20 70 FDIDRO COc1ccc(-n2ccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)n2)cc1 ZINC000160612527 524928441 /nfs/dbraw/zinc/92/84/41/524928441.db2.gz LJKUGBMTKZEFIM-MRXNPFEDSA-N 1 0 358.442 1.458 20 70 FDIDRO CNC(=O)c1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160679574 524947028 /nfs/dbraw/zinc/94/70/28/524947028.db2.gz NCTRRKTYCGRWRD-ROUUACIJSA-N 1 0 359.470 1.544 20 70 FDIDRO CC(=O)NC1(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CCCCC1 ZINC000160725433 524957475 /nfs/dbraw/zinc/95/74/75/524957475.db2.gz RMYBTNPAAWEALK-MOPGFXCFSA-N 1 0 373.497 1.577 20 70 FDIDRO CC[C@H](C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)[NH+](C)C ZINC000160808929 524975215 /nfs/dbraw/zinc/97/52/15/524975215.db2.gz RICUMOGYCFCTIU-MRXNPFEDSA-N 1 0 366.893 1.445 20 70 FDIDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)N(C)CC(=O)NC1CC1 ZINC000160856903 524983939 /nfs/dbraw/zinc/98/39/39/524983939.db2.gz NMGUCXCYSSGSLR-GJZGRUSLSA-N 1 0 369.469 1.648 20 70 FDIDRO Cc1cc(S(N)(=O)=O)cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1C ZINC000160875929 524987379 /nfs/dbraw/zinc/98/73/79/524987379.db2.gz GVLDUXDJOXSDLO-UHFFFAOYSA-N 1 0 362.455 1.660 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC(=O)NC(C)C)CC2)cc1 ZINC000160936806 525000422 /nfs/dbraw/zinc/00/04/22/525000422.db2.gz YGNAUZLHYFWDMT-UHFFFAOYSA-N 1 0 353.488 1.262 20 70 FDIDRO Cc1nnc([C@H]2CN(C(=O)NC[C@H]3CCCC[N@H+]3CC(C)C)CCO2)[nH]1 ZINC000160935335 525000583 /nfs/dbraw/zinc/00/05/83/525000583.db2.gz GMJRCFXEVULMIX-HZPDHXFCSA-N 1 0 364.494 1.707 20 70 FDIDRO Cc1conc1NC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000160971736 525006573 /nfs/dbraw/zinc/00/65/73/525006573.db2.gz SSOGATPGSGVMHP-ZIAGYGMSSA-N 1 0 364.446 1.269 20 70 FDIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000160971256 525007104 /nfs/dbraw/zinc/00/71/04/525007104.db2.gz UXOYXMWDMTWQFX-OQSMONGASA-N 1 0 373.563 1.973 20 70 FDIDRO Cc1cc(Cl)ncc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000160993858 525011709 /nfs/dbraw/zinc/01/17/09/525011709.db2.gz YXNDHWNSZBYJFY-ZDUSSCGKSA-N 1 0 368.865 1.335 20 70 FDIDRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(F)cc1N(C)C ZINC000161014956 525016502 /nfs/dbraw/zinc/01/65/02/525016502.db2.gz LPHYDOHMYMEXSF-CYBMUJFWSA-N 1 0 372.444 1.958 20 70 FDIDRO O[C@H](CN1CCOCC1)C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161060226 525024366 /nfs/dbraw/zinc/02/43/66/525024366.db2.gz VMQHDMDAUYPVNN-ZACQAIPSSA-N 1 0 374.403 1.506 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000161216933 525057881 /nfs/dbraw/zinc/05/78/81/525057881.db2.gz FRERJGPSOOIFPP-RISCZKNCSA-N 1 0 368.275 1.778 20 70 FDIDRO COCCN(CCOC)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161241153 525062565 /nfs/dbraw/zinc/06/25/65/525062565.db2.gz IHCONRNOWXGHPZ-INIZCTEOSA-N 1 0 364.490 1.911 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CS(=O)(=O)c1ccc(C(C)=O)c(F)c1 ZINC000161260862 525068685 /nfs/dbraw/zinc/06/86/85/525068685.db2.gz BRZKKBLBADCDLK-LBPRGKRZSA-N 1 0 356.419 1.012 20 70 FDIDRO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000161290545 525075170 /nfs/dbraw/zinc/07/51/70/525075170.db2.gz UYDDDWBFUHXXQR-OAHLLOKOSA-N 1 0 355.442 1.496 20 70 FDIDRO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161350756 525086428 /nfs/dbraw/zinc/08/64/28/525086428.db2.gz DHPHKSUDYJNELU-DOTOQJQBSA-N 1 0 359.474 1.608 20 70 FDIDRO O=S(=O)(Cc1cc(Cl)ccc1F)NCC1CC[NH+](CCO)CC1 ZINC000161388767 525099909 /nfs/dbraw/zinc/09/99/09/525099909.db2.gz VBHGWZANPMNKJJ-UHFFFAOYSA-N 1 0 364.870 1.603 20 70 FDIDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCN2C(=O)NC[C@H]2C1 ZINC000161397908 525101800 /nfs/dbraw/zinc/10/18/00/525101800.db2.gz UBLMSELNGJFMFI-DLBZAZTESA-N 1 0 357.458 1.243 20 70 FDIDRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000161409377 525102390 /nfs/dbraw/zinc/10/23/90/525102390.db2.gz IHTIGARNTBXSFB-GFCCVEGCSA-N 1 0 351.472 1.844 20 70 FDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000161412444 525102532 /nfs/dbraw/zinc/10/25/32/525102532.db2.gz UDUMYJUBFIMORB-ZDUSSCGKSA-N 1 0 354.394 1.437 20 70 FDIDRO C[C@]1(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CCC[NH2+]C1 ZINC000161421516 525105661 /nfs/dbraw/zinc/10/56/61/525105661.db2.gz QYETUSUCGIZZIR-SFHVURJKSA-N 1 0 351.397 1.639 20 70 FDIDRO O=C(Cc1cn2ccsc2n1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160306120 173706141 /nfs/dbraw/zinc/70/61/41/173706141.db2.gz DWQAFMPTKRARQD-CVEARBPZSA-N 1 0 362.499 1.822 20 70 FDIDRO COCCOCc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1F ZINC000160345757 173707972 /nfs/dbraw/zinc/70/79/72/173707972.db2.gz JVMJXOPJRUPIOL-KRWDZBQOSA-N 1 0 368.449 1.565 20 70 FDIDRO C[C@H](NC(=O)c1ccoc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160512712 173713580 /nfs/dbraw/zinc/71/35/80/173713580.db2.gz VBDIBNFRSFMRRX-JQFCIGGWSA-N 1 0 363.458 1.282 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000160748163 173720223 /nfs/dbraw/zinc/72/02/23/173720223.db2.gz SQAGUXGFRSQMMQ-SMDDNHRTSA-N 1 0 371.359 1.758 20 70 FDIDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c(OC)c1 ZINC000159367728 524654426 /nfs/dbraw/zinc/65/44/26/524654426.db2.gz PERJUQCTSORBAU-HNNXBMFYSA-N 1 0 356.488 1.998 20 70 FDIDRO CC1CCC(N(C)C(=O)CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000159413594 524664863 /nfs/dbraw/zinc/66/48/63/524664863.db2.gz ASGYZXHWYYXQOC-LEOMRAHMSA-N 1 0 364.534 1.438 20 70 FDIDRO [NH3+]C1(CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CCCCC1 ZINC000159489094 524681993 /nfs/dbraw/zinc/68/19/93/524681993.db2.gz SDHGPZGUYYCSRY-UHFFFAOYSA-N 1 0 351.472 1.519 20 70 FDIDRO COc1ccc(-c2n[nH]cc2C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000159550615 524696080 /nfs/dbraw/zinc/69/60/80/524696080.db2.gz YKILSMNLOAMNHA-INIZCTEOSA-N 1 0 372.469 1.908 20 70 FDIDRO C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)C[C@H]1CCC[C@@H]1O ZINC000159557892 524696591 /nfs/dbraw/zinc/69/65/91/524696591.db2.gz GQEWACRAGWXOBB-MOPGFXCFSA-N 1 0 373.497 1.632 20 70 FDIDRO Cc1ccn2ncc(C(=O)N3CC[C@H](OCC[NH+]4CCCCC4)C3)c2n1 ZINC000159572823 524699451 /nfs/dbraw/zinc/69/94/51/524699451.db2.gz XFEVCPQIXMOLNB-INIZCTEOSA-N 1 0 357.458 1.755 20 70 FDIDRO CCC(CC)[C@@H](CNC(=O)N1CCC[N@H+](CC)CC1)N1CCOCC1 ZINC000159582741 524701826 /nfs/dbraw/zinc/70/18/26/524701826.db2.gz LPFJJQFQRTYLHO-GOSISDBHSA-N 1 0 354.539 1.861 20 70 FDIDRO CC[N@H+](Cc1ccc(C(=O)NCCCNS(C)(=O)=O)cc1)C(C)C ZINC000159610148 524707616 /nfs/dbraw/zinc/70/76/16/524707616.db2.gz ZPJBXTGFXODDFC-UHFFFAOYSA-N 1 0 355.504 1.586 20 70 FDIDRO Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1-n1cnnn1 ZINC000159612630 524708103 /nfs/dbraw/zinc/70/81/03/524708103.db2.gz KYUIPCUCOBZLMV-ZBFHGGJFSA-N 1 0 355.446 1.919 20 70 FDIDRO C[C@@H](Oc1cccc(CO)c1)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000159642827 524712322 /nfs/dbraw/zinc/71/23/22/524712322.db2.gz MMBBUGJXMKMMLP-MRXNPFEDSA-N 1 0 357.454 1.932 20 70 FDIDRO COC1(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)CC[NH2+]CC1 ZINC000159685020 524721164 /nfs/dbraw/zinc/72/11/64/524721164.db2.gz YWCARKJECHHOEM-UHFFFAOYSA-N 1 0 359.470 1.424 20 70 FDIDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@]3(C)CCCS3)cn2)CC1 ZINC000159754914 524732448 /nfs/dbraw/zinc/73/24/48/524732448.db2.gz JYCNKSQCOJWIGZ-SFHVURJKSA-N 1 0 363.531 1.918 20 70 FDIDRO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)CC1 ZINC000159765702 524734894 /nfs/dbraw/zinc/73/48/94/524734894.db2.gz HFSJODPDFRHITN-SJORKVTESA-N 1 0 353.507 1.185 20 70 FDIDRO COc1cccc(/C=C(/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)n2nnnc2C)c1 ZINC000159779974 524737101 /nfs/dbraw/zinc/73/71/01/524737101.db2.gz YRXDVMKXNYDFKR-NNVWJYBBSA-N 1 0 368.441 1.341 20 70 FDIDRO Cc1c(/C=C/C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cnn1C ZINC000159780947 524737546 /nfs/dbraw/zinc/73/75/46/524737546.db2.gz HKFSAWBQPROEBY-SNAWJCMRSA-N 1 0 354.458 1.205 20 70 FDIDRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)nc2)[NH+](C)C)c1 ZINC000159801970 524740995 /nfs/dbraw/zinc/74/09/95/524740995.db2.gz JRNXNXARCBWTLF-QGZVFWFLSA-N 1 0 356.426 1.756 20 70 FDIDRO COc1ccc(C)cc1N1C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1=O ZINC000159814562 524744656 /nfs/dbraw/zinc/74/46/56/524744656.db2.gz OYMNWMPZOUJZOW-OAGGEKHMSA-N 1 0 357.454 1.709 20 70 FDIDRO Cn1cnc2cc(C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)cnc21 ZINC000159814592 524745582 /nfs/dbraw/zinc/74/55/82/524745582.db2.gz FXQNGLIZNMEBQR-INIZCTEOSA-N 1 0 356.474 1.210 20 70 FDIDRO CC(=O)N1CC[C@@H](CN(C)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000159828215 524747463 /nfs/dbraw/zinc/74/74/63/524747463.db2.gz UCUCNMSMEVNOSP-OALUTQOASA-N 1 0 360.502 1.669 20 70 FDIDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1ccc(-n2ccnn2)cc1 ZINC000159850474 524753792 /nfs/dbraw/zinc/75/37/92/524753792.db2.gz GTVHPPMUQCCHOC-OLZOCXBDSA-N 1 0 358.446 1.931 20 70 FDIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(C2CCOCC2)CC1 ZINC000159853268 524754007 /nfs/dbraw/zinc/75/40/07/524754007.db2.gz WGSVGEZYGFKLBF-INIZCTEOSA-N 1 0 352.523 1.471 20 70 FDIDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)cc1 ZINC000159867207 524757571 /nfs/dbraw/zinc/75/75/71/524757571.db2.gz JORZLXKEXFDYLU-ZIAGYGMSSA-N 1 0 373.457 1.747 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000159960411 524778504 /nfs/dbraw/zinc/77/85/04/524778504.db2.gz MUKDACASHJXFAZ-IBGZPJMESA-N 1 0 361.486 1.224 20 70 FDIDRO CCS(=O)(=O)NCc1ccc(C(=O)N2CC[NH+](C(C)C)CC2)cc1 ZINC000160053090 524796636 /nfs/dbraw/zinc/79/66/36/524796636.db2.gz OXSOBCJCEKIPNK-UHFFFAOYSA-N 1 0 353.488 1.292 20 70 FDIDRO Cc1ccc(C)n1-c1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cnn1C ZINC000160048725 524797513 /nfs/dbraw/zinc/79/75/13/524797513.db2.gz AINGVHGGNXPYOO-INIZCTEOSA-N 1 0 359.474 1.404 20 70 FDIDRO CNC(=O)Cn1cc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000160060941 524798154 /nfs/dbraw/zinc/79/81/54/524798154.db2.gz HDGCMBGEZYIUMD-ZBFHGGJFSA-N 1 0 370.457 1.414 20 70 FDIDRO CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H]([NH+]3CCCC3)CC1)CC2 ZINC000160060223 524799126 /nfs/dbraw/zinc/79/91/26/524799126.db2.gz PVZZFHJBURXUPT-CVEARBPZSA-N 1 0 360.506 1.815 20 70 FDIDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCCC[C@H]3C(N)=O)cc2)CC1 ZINC000160070302 524801717 /nfs/dbraw/zinc/80/17/17/524801717.db2.gz SLQHVOOPXCZVPG-SFHVURJKSA-N 1 0 358.486 1.697 20 70 FDIDRO CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160074569 524802289 /nfs/dbraw/zinc/80/22/89/524802289.db2.gz MQYJIWRTFSOEKH-IYBDPMFKSA-N 1 0 365.499 1.682 20 70 FDIDRO CC(C)([NH3+])CNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000160085649 524804805 /nfs/dbraw/zinc/80/48/05/524804805.db2.gz AGANYHJHTLXPNZ-UHFFFAOYSA-N 1 0 363.277 1.217 20 70 FDIDRO O=C(Cc1ccccc1Br)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160082535 524804890 /nfs/dbraw/zinc/80/48/90/524804890.db2.gz HPACPGVBHDSAFI-CQSZACIVSA-N 1 0 355.276 1.955 20 70 FDIDRO COc1ccccc1C(=O)N[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(C)C ZINC000160113446 524812814 /nfs/dbraw/zinc/81/28/14/524812814.db2.gz BHWBIKWCFFBYGB-DAYGRLMNSA-N 1 0 359.470 1.803 20 70 FDIDRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C[NH3+])ccc1F ZINC000160136814 524815479 /nfs/dbraw/zinc/81/54/79/524815479.db2.gz BJFPMXBWUFPVBW-GFCCVEGCSA-N 1 0 357.451 1.466 20 70 FDIDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000160137131 524817393 /nfs/dbraw/zinc/81/73/93/524817393.db2.gz ZVTLGZQIXFKXJJ-NVXWUHKLSA-N 1 0 350.507 1.807 20 70 FDIDRO CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160138372 524817876 /nfs/dbraw/zinc/81/78/76/524817876.db2.gz YZUJPVCDFBUZAC-LJQANCHMSA-N 1 0 373.497 1.846 20 70 FDIDRO C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCN(c2ccc(F)cc2)CC1 ZINC000160156673 524820079 /nfs/dbraw/zinc/82/00/79/524820079.db2.gz QYVUYVGELGECDT-RYQLBKOJSA-N 1 0 360.477 1.689 20 70 FDIDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCCC(=O)OC(C)C)C2)CC1 ZINC000160175886 524823916 /nfs/dbraw/zinc/82/39/16/524823916.db2.gz RZZVKPAGQXGNFU-MRXNPFEDSA-N 1 0 354.495 1.140 20 70 FDIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc(S(N)(=O)=O)s1 ZINC000160218925 524833115 /nfs/dbraw/zinc/83/31/15/524833115.db2.gz DEODZMYSSTVIGN-AAEUAGOBSA-N 1 0 352.485 1.723 20 70 FDIDRO Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H](O)C[NH+]3CCCCC3)C2=O)cc1C ZINC000160237505 524838085 /nfs/dbraw/zinc/83/80/85/524838085.db2.gz XLBSZNIKFIISQO-MOPGFXCFSA-N 1 0 373.497 1.619 20 70 FDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc2c1OCCO2 ZINC000160297201 524850945 /nfs/dbraw/zinc/85/09/45/524850945.db2.gz XKNPPTCINHMJPM-CQSZACIVSA-N 1 0 354.472 1.857 20 70 FDIDRO C[N@H+](CCN1CC[C@H](S(=O)(=O)N2CCCC2)C1)Cc1ccc(F)cc1 ZINC000160314209 524856616 /nfs/dbraw/zinc/85/66/16/524856616.db2.gz HANHQNBYWMEUFN-SFHVURJKSA-N 1 0 369.506 1.757 20 70 FDIDRO CN(C)C(=O)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160358020 524866815 /nfs/dbraw/zinc/86/68/15/524866815.db2.gz VKUATYJXOSLHOM-RBUKOAKNSA-N 1 0 373.497 1.886 20 70 FDIDRO Cc1csc(N2CCC(C(=O)NC[C@H](O)C[NH+]3CCCCC3)CC2)n1 ZINC000160392524 524876735 /nfs/dbraw/zinc/87/67/35/524876735.db2.gz AFWKDHYZDUWJFU-INIZCTEOSA-N 1 0 366.531 1.631 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O ZINC000160409848 524880759 /nfs/dbraw/zinc/88/07/59/524880759.db2.gz SNVUAFFGCKGGKY-OAHLLOKOSA-N 1 0 353.488 1.007 20 70 FDIDRO CCS(=O)(=O)c1cccc(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000160421226 524885727 /nfs/dbraw/zinc/88/57/27/524885727.db2.gz YRXBWOREVPWSNH-ZBFHGGJFSA-N 1 0 352.500 1.964 20 70 FDIDRO Cc1nn(C)c(Cl)c1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160469699 524895371 /nfs/dbraw/zinc/89/53/71/524895371.db2.gz QQKGEXDOSBXLFQ-LSDHHAIUSA-N 1 0 362.861 1.747 20 70 FDIDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c2cnn(C)c2n1 ZINC000160465128 524895995 /nfs/dbraw/zinc/89/59/95/524895995.db2.gz BKKLBKAAEKUJNO-ZWKOTPCHSA-N 1 0 371.485 1.774 20 70 FDIDRO COCCCOc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160534055 524910049 /nfs/dbraw/zinc/91/00/49/524910049.db2.gz GNMBBUDNKFHASF-KRWDZBQOSA-N 1 0 350.459 1.679 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000160555663 524914055 /nfs/dbraw/zinc/91/40/55/524914055.db2.gz BGIBFZGQUVXAGI-AWEZNQCLSA-N 1 0 369.462 1.047 20 70 FDIDRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160631925 524932980 /nfs/dbraw/zinc/93/29/80/524932980.db2.gz RBIDZOZPESBNNE-GFCCVEGCSA-N 1 0 363.384 1.660 20 70 FDIDRO O=C(CN1CCOc2ccc(Cl)cc21)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160661791 524940325 /nfs/dbraw/zinc/94/03/25/524940325.db2.gz JAAAXPDSECWYMY-OAHLLOKOSA-N 1 0 367.877 1.502 20 70 FDIDRO O=C(/C=C/c1ccc(-n2ccnc2)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160668401 524942020 /nfs/dbraw/zinc/94/20/20/524942020.db2.gz CFFYPHOBKDTSPB-MBNRZODZSA-N 1 0 354.454 1.849 20 70 FDIDRO CNS(=O)(=O)[C@H]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000160667936 524942677 /nfs/dbraw/zinc/94/26/77/524942677.db2.gz QNFSYJFKROWEFU-INIZCTEOSA-N 1 0 372.535 1.117 20 70 FDIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000160775137 524968845 /nfs/dbraw/zinc/96/88/45/524968845.db2.gz IKITXMGVNNYIQZ-ZIAGYGMSSA-N 1 0 369.491 1.047 20 70 FDIDRO CCN(CC)C(=O)CN1CCCN(CCCS(=O)(=O)C(C)C)CC1 ZINC000160789003 524969646 /nfs/dbraw/zinc/96/96/46/524969646.db2.gz BWJPDSHMQUTTAD-UHFFFAOYSA-N 1 0 361.552 1.076 20 70 FDIDRO CCc1ncnc(N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1F ZINC000160897108 524992072 /nfs/dbraw/zinc/99/20/72/524992072.db2.gz WUYLMSUTASUJJP-INIZCTEOSA-N 1 0 359.449 1.879 20 70 FDIDRO CCOC(=O)[C@@H]1CC[C@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000160940601 525000274 /nfs/dbraw/zinc/00/02/74/525000274.db2.gz VIBIEUKWQFWOET-ZBFHGGJFSA-N 1 0 354.495 1.043 20 70 FDIDRO COCc1nc2n(n1)C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)CC2 ZINC000160949063 525001305 /nfs/dbraw/zinc/00/13/05/525001305.db2.gz VCLXEJCCFVMCAD-OAHLLOKOSA-N 1 0 364.494 1.113 20 70 FDIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)cc1 ZINC000161010216 525015203 /nfs/dbraw/zinc/01/52/03/525015203.db2.gz IJYCIIDUXJZKTI-CQSZACIVSA-N 1 0 366.425 1.638 20 70 FDIDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(OC)c(N)c2)CC1=O ZINC000161053313 525024630 /nfs/dbraw/zinc/02/46/30/525024630.db2.gz DNACZRXWJQFKHP-HIFRSBDPSA-N 1 0 360.458 1.549 20 70 FDIDRO COc1cccc(N2CCC[C@@H](NC(=O)[C@@H]([NH3+])Cc3ccccc3)C2=O)c1 ZINC000161093556 525033316 /nfs/dbraw/zinc/03/33/16/525033316.db2.gz MEDHTMYCGVWUOS-RBUKOAKNSA-N 1 0 367.449 1.877 20 70 FDIDRO CSCC[C@@H]([NH3+])C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000161182023 525050999 /nfs/dbraw/zinc/05/09/99/525050999.db2.gz FTSCAZTZYJMDLY-CQSZACIVSA-N 1 0 355.891 1.591 20 70 FDIDRO CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000161255946 525067181 /nfs/dbraw/zinc/06/71/81/525067181.db2.gz LAANKARNZWEXEL-QAPCUYQASA-N 1 0 359.470 1.439 20 70 FDIDRO COC(=O)c1[nH]c(C)c(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1C ZINC000161269735 525070453 /nfs/dbraw/zinc/07/04/53/525070453.db2.gz DSGRVAYDKNAUHU-CQSZACIVSA-N 1 0 363.458 1.649 20 70 FDIDRO CSc1nc(C)c(CCC(=O)N[C@@H]2CCN(c3ccccn3)C2)c(=O)[nH]1 ZINC000161344259 525085433 /nfs/dbraw/zinc/08/54/33/525085433.db2.gz GFLXNOQMEKIWDB-CYBMUJFWSA-N 1 0 373.482 1.523 20 70 FDIDRO COCc1nc(C)cc(N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)n1 ZINC000161384902 525097762 /nfs/dbraw/zinc/09/77/62/525097762.db2.gz CNGUEUGKQKDXNA-KRWDZBQOSA-N 1 0 371.485 1.632 20 70 FDIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccccc1C(F)(F)F ZINC000161385988 525098012 /nfs/dbraw/zinc/09/80/12/525098012.db2.gz BLSJZCPMZBEFGW-UHFFFAOYSA-N 1 0 366.405 1.688 20 70 FDIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161480250 525115606 /nfs/dbraw/zinc/11/56/06/525115606.db2.gz WSHJAKKFRLIJQQ-KBPBESRZSA-N 1 0 355.504 1.892 20 70 FDIDRO COc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)c1 ZINC000161474606 525116531 /nfs/dbraw/zinc/11/65/31/525116531.db2.gz YMCJJIVSNNNGFE-OAHLLOKOSA-N 1 0 370.515 1.717 20 70 FDIDRO COCc1ccccc1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000161489361 525117377 /nfs/dbraw/zinc/11/73/77/525117377.db2.gz OZRZQRFBWUNBPE-KRWDZBQOSA-N 1 0 360.458 1.603 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(F)cc1Br ZINC000161505312 525119647 /nfs/dbraw/zinc/11/96/47/525119647.db2.gz JXWGFBWQZBPHJC-GFCCVEGCSA-N 1 0 369.256 1.179 20 70 FDIDRO Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160137451 173699913 /nfs/dbraw/zinc/69/99/13/173699913.db2.gz MQARYTAXWWPDHE-OALUTQOASA-N 1 0 373.497 1.449 20 70 FDIDRO CC[C@H]1CCCCN1C(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159386796 524657881 /nfs/dbraw/zinc/65/78/81/524657881.db2.gz AYVRJMLASSQHMY-DOTOQJQBSA-N 1 0 350.507 1.192 20 70 FDIDRO COc1cc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc(OC)c1 ZINC000159410539 524663167 /nfs/dbraw/zinc/66/31/67/524663167.db2.gz QJQAOXAYUYERJO-HNNXBMFYSA-N 1 0 356.488 1.998 20 70 FDIDRO CC(C)OC(=O)CCCNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000159536443 524692703 /nfs/dbraw/zinc/69/27/03/524692703.db2.gz STXJVLCYOQTZGE-MRXNPFEDSA-N 1 0 356.511 1.289 20 70 FDIDRO O=C(C1CCC1)N1CSC[C@@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159761627 524735014 /nfs/dbraw/zinc/73/50/14/524735014.db2.gz UAWMXRFTRYQGND-MRXNPFEDSA-N 1 0 351.516 1.679 20 70 FDIDRO COC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000159802000 524740075 /nfs/dbraw/zinc/74/00/75/524740075.db2.gz XOWNJVALDPZWSR-CYBMUJFWSA-N 1 0 356.369 1.768 20 70 FDIDRO CCc1cc(N2CCC[C@H](NC(=O)N3CCC[N@@H+](CC)CC3)C2)ncn1 ZINC000159856155 524753650 /nfs/dbraw/zinc/75/36/50/524753650.db2.gz WCQMZWDEGZGIGD-KRWDZBQOSA-N 1 0 360.506 1.745 20 70 FDIDRO C[NH+]1CCN(c2cc(C(=O)N[C@H]3c4ccccc4C[C@@H]3O)ccn2)CC1 ZINC000159867039 524754809 /nfs/dbraw/zinc/75/48/09/524754809.db2.gz JBCOKNCYJQAFGX-HKUYNNGSSA-N 1 0 352.438 1.222 20 70 FDIDRO CC(C)NC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159902079 524763516 /nfs/dbraw/zinc/76/35/16/524763516.db2.gz UAXARHFOLLBHKU-MRXNPFEDSA-N 1 0 355.442 1.793 20 70 FDIDRO O=C(CCC(=O)c1ccc(F)c(F)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159905444 524764644 /nfs/dbraw/zinc/76/46/44/524764644.db2.gz XOTCNIMJUCKDDF-CQSZACIVSA-N 1 0 354.397 1.891 20 70 FDIDRO CCOCCN1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159931560 524770582 /nfs/dbraw/zinc/77/05/82/524770582.db2.gz LUFKSYDOBKNVES-ICSRJNTNSA-N 1 0 374.529 1.871 20 70 FDIDRO O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159944366 524772809 /nfs/dbraw/zinc/77/28/09/524772809.db2.gz JBADNOHSSOOBTO-PJGQNWHFSA-N 1 0 364.467 1.308 20 70 FDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H](O)COCC1CC1 ZINC000159941489 524772858 /nfs/dbraw/zinc/77/28/58/524772858.db2.gz DKCMTYBMHNCOJY-MNEFBYGVSA-N 1 0 361.486 1.594 20 70 FDIDRO C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000159963683 524777306 /nfs/dbraw/zinc/77/73/06/524777306.db2.gz SHXSCQZQCCSQOY-HNAYVOBHSA-N 1 0 373.497 1.617 20 70 FDIDRO [NH3+]CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000159994177 524784604 /nfs/dbraw/zinc/78/46/04/524784604.db2.gz BAHCLNXURQKIOA-LBPRGKRZSA-N 1 0 359.879 1.206 20 70 FDIDRO CC(C)[C@H](CNC(=O)c1ccnc2c(C(N)=O)cnn21)[NH+]1CCC(C)CC1 ZINC000160007351 524786679 /nfs/dbraw/zinc/78/66/79/524786679.db2.gz LKBWNZDTNRKMBA-INIZCTEOSA-N 1 0 372.473 1.315 20 70 FDIDRO C[C@H](C[C@H](O)c1ccccc1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000160011372 524789269 /nfs/dbraw/zinc/78/92/69/524789269.db2.gz CEZSEQJYLHTSGB-APWZRJJASA-N 1 0 362.518 1.824 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000160022543 524792682 /nfs/dbraw/zinc/79/26/82/524792682.db2.gz VXSAGVNQVCBUGB-MRXNPFEDSA-N 1 0 355.438 1.619 20 70 FDIDRO O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160052695 524796047 /nfs/dbraw/zinc/79/60/47/524796047.db2.gz IWFDCSUUGYTSMD-UFUQCMIWSA-N 1 0 371.481 1.790 20 70 FDIDRO Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NCCC[NH3+])c(C)c1C ZINC000160167508 524823521 /nfs/dbraw/zinc/82/35/21/524823521.db2.gz RMUXEXDLQMTWBD-UHFFFAOYSA-N 1 0 355.504 1.362 20 70 FDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000160186907 524826603 /nfs/dbraw/zinc/82/66/03/524826603.db2.gz PGRXWSFZGRZEBY-DLBZAZTESA-N 1 0 350.507 1.950 20 70 FDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000160186774 524827710 /nfs/dbraw/zinc/82/77/10/524827710.db2.gz PGRXWSFZGRZEBY-IAGOWNOFSA-N 1 0 350.507 1.950 20 70 FDIDRO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000160223321 524834986 /nfs/dbraw/zinc/83/49/86/524834986.db2.gz KVGVUKDHAXBDLG-DOTOQJQBSA-N 1 0 361.490 1.544 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCc2cccc(C(N)=O)c2)CC[N@@H+]1CCOC ZINC000160333573 524859771 /nfs/dbraw/zinc/85/97/71/524859771.db2.gz QOMQLYJTMLTAIJ-KRWDZBQOSA-N 1 0 362.474 1.428 20 70 FDIDRO CO[C@]1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCOC1 ZINC000160350680 524865921 /nfs/dbraw/zinc/86/59/21/524865921.db2.gz XEETUAYQKCEMSY-HIFRSBDPSA-N 1 0 360.248 1.584 20 70 FDIDRO CSc1nc(C2CC2)nc(C)c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160377226 524871294 /nfs/dbraw/zinc/87/12/94/524871294.db2.gz HRUWCCLDUQBIPP-AWEZNQCLSA-N 1 0 364.515 1.961 20 70 FDIDRO CN(C)c1nc2cc(NC(=O)C(=O)NC[C@H](C3CC3)[NH+](C)C)ccc2o1 ZINC000160396783 524879152 /nfs/dbraw/zinc/87/91/52/524879152.db2.gz WCHBITCCQHLALE-CQSZACIVSA-N 1 0 359.430 1.289 20 70 FDIDRO CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000160485451 524899737 /nfs/dbraw/zinc/89/97/37/524899737.db2.gz YAIHQGCIKUYXSR-QLFBSQMISA-N 1 0 367.515 1.862 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000160491013 524903177 /nfs/dbraw/zinc/90/31/77/524903177.db2.gz DXWDHVCODHFDSW-SNVBAGLBSA-N 1 0 361.261 1.287 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000160518069 524906401 /nfs/dbraw/zinc/90/64/01/524906401.db2.gz TUNYWNCCDGZSBG-HNNXBMFYSA-N 1 0 350.482 1.970 20 70 FDIDRO CCOc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1OCC ZINC000160561465 524915896 /nfs/dbraw/zinc/91/58/96/524915896.db2.gz YMSJYLFRUJIXPP-UHFFFAOYSA-N 1 0 350.459 1.918 20 70 FDIDRO CC(C)CC(=O)NCCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160687155 524949558 /nfs/dbraw/zinc/94/95/58/524949558.db2.gz BCLFVQIBHUSDDE-IRXDYDNUSA-N 1 0 353.507 1.423 20 70 FDIDRO O=C(NC[C@H](O)COc1ccc(F)c(F)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160705833 524954090 /nfs/dbraw/zinc/95/40/90/524954090.db2.gz SQANNJAHEHSUEB-KBPBESRZSA-N 1 0 369.412 1.488 20 70 FDIDRO [NH3+][C@H](CCC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccccc1 ZINC000160716882 524955821 /nfs/dbraw/zinc/95/58/21/524955821.db2.gz BHJXODYZQIFTPD-QGZVFWFLSA-N 1 0 371.441 1.161 20 70 FDIDRO Cc1cc(C)c(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(=O)[nH]1 ZINC000160781034 524967926 /nfs/dbraw/zinc/96/79/26/524967926.db2.gz IZIYCLLBSOLTKH-DLBZAZTESA-N 1 0 355.438 1.357 20 70 FDIDRO Cn1ccnc1CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160813881 524976367 /nfs/dbraw/zinc/97/63/67/524976367.db2.gz JTSCVCGJPNCLGU-INIZCTEOSA-N 1 0 360.506 1.264 20 70 FDIDRO Cc1ccc(F)c(OCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000160865742 524986465 /nfs/dbraw/zinc/98/64/65/524986465.db2.gz YFODYZYSCMUJLZ-AWEZNQCLSA-N 1 0 351.422 1.217 20 70 FDIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(Cc2ccncc2)CC1 ZINC000160906848 524995060 /nfs/dbraw/zinc/99/50/60/524995060.db2.gz BHRYWAKYWLBRCN-GOSISDBHSA-N 1 0 357.502 1.926 20 70 FDIDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000160920735 524997356 /nfs/dbraw/zinc/99/73/56/524997356.db2.gz RJVVAMDHVRBMAB-CYBMUJFWSA-N 1 0 361.442 1.803 20 70 FDIDRO COCCOCCS(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160967558 525007543 /nfs/dbraw/zinc/00/75/43/525007543.db2.gz DZQMOUAYJNHUSG-UHFFFAOYSA-N 1 0 362.536 1.612 20 70 FDIDRO Cn1cnc2cc(C(=O)NC[C@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)cnc21 ZINC000161013924 525016024 /nfs/dbraw/zinc/01/60/24/525016024.db2.gz CSLQSWHVQRPTTE-SJORKVTESA-N 1 0 365.437 1.334 20 70 FDIDRO C[C@@H]1C[C@@H](NS(=O)(=O)CCC(=O)OCc2ccccc2)C[N@@H+]1C1CC1 ZINC000161021814 525018409 /nfs/dbraw/zinc/01/84/09/525018409.db2.gz DCDNQKIHFRNRNC-GDBMZVCRSA-N 1 0 366.483 1.665 20 70 FDIDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1O ZINC000161026239 525018580 /nfs/dbraw/zinc/01/85/80/525018580.db2.gz GEYLDLCSWUMDEW-KRWDZBQOSA-N 1 0 355.438 1.411 20 70 FDIDRO COC(=O)c1ccc2[nH]cc(C(=O)CN(C)CCN3CCCC3=O)c2c1 ZINC000161092852 525031376 /nfs/dbraw/zinc/03/13/76/525031376.db2.gz PXIZRPOEPWNJEA-UHFFFAOYSA-N 1 0 357.410 1.691 20 70 FDIDRO COCCC[NH+]1CCC(NC(=O)NCCOc2ncccc2Cl)CC1 ZINC000161102326 525033131 /nfs/dbraw/zinc/03/31/31/525033131.db2.gz LWFAPNVXKUBMFT-UHFFFAOYSA-N 1 0 370.881 1.914 20 70 FDIDRO CC(=O)N[C@H](CC(=O)NC[C@H](C1CC1)[NH+](C)C)c1ccc(F)cc1F ZINC000161161658 525046214 /nfs/dbraw/zinc/04/62/14/525046214.db2.gz JKFVKWZXKRZXQA-IAGOWNOFSA-N 1 0 353.413 1.989 20 70 FDIDRO CCC(CC)(C[NH3+])C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000161192041 525049444 /nfs/dbraw/zinc/04/94/44/525049444.db2.gz BSBTZACQXAUODD-UHFFFAOYSA-N 1 0 367.515 1.675 20 70 FDIDRO CCC(CC)(C[NH3+])C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000161194674 525051207 /nfs/dbraw/zinc/05/12/07/525051207.db2.gz GXWPPXSVXBJVQW-KRWDZBQOSA-N 1 0 361.486 1.977 20 70 FDIDRO Cc1ccc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c(Br)c1 ZINC000161223928 525057651 /nfs/dbraw/zinc/05/76/51/525057651.db2.gz VIXKWZCWGJCFOY-UHFFFAOYSA-N 1 0 354.248 1.261 20 70 FDIDRO CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000161257205 525065756 /nfs/dbraw/zinc/06/57/56/525065756.db2.gz IXPDUCLKGZQPCE-QAPCUYQASA-N 1 0 361.486 1.670 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000161269461 525070206 /nfs/dbraw/zinc/07/02/06/525070206.db2.gz DTBSHLLQYICMRV-YPMHNXCESA-N 1 0 359.879 1.217 20 70 FDIDRO COC(=O)c1[nH]c(C)c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1C ZINC000161269608 525070406 /nfs/dbraw/zinc/07/04/06/525070406.db2.gz DSGRVAYDKNAUHU-AWEZNQCLSA-N 1 0 363.458 1.649 20 70 FDIDRO CN(Cc1ccco1)C(=O)C[C@]1(C(=O)N(C)Cc2ccco2)CC[NH2+]C1 ZINC000161304237 525075689 /nfs/dbraw/zinc/07/56/89/525075689.db2.gz BNISKCVVQYDIFP-LJQANCHMSA-N 1 0 359.426 1.859 20 70 FDIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(CNS(=O)(=O)CC)cc2)C1 ZINC000161323019 525080823 /nfs/dbraw/zinc/08/08/23/525080823.db2.gz ILODBOCSZGDHHL-OAHLLOKOSA-N 1 0 353.488 1.198 20 70 FDIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)NC(=O)NCc1ccccc1 ZINC000161325098 525083070 /nfs/dbraw/zinc/08/30/70/525083070.db2.gz PIHAGOHEZPOQQX-UHFFFAOYSA-N 1 0 353.426 1.230 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCCNC(=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC000161441163 525108648 /nfs/dbraw/zinc/10/86/48/525108648.db2.gz PSDUODSIUVXMFL-OAHLLOKOSA-N 1 0 356.511 1.291 20 70 FDIDRO COc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)c1 ZINC000161474757 525115709 /nfs/dbraw/zinc/11/57/09/525115709.db2.gz YMCJJIVSNNNGFE-HNNXBMFYSA-N 1 0 370.515 1.717 20 70 FDIDRO COCc1ccccc1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000161489236 525117342 /nfs/dbraw/zinc/11/73/42/525117342.db2.gz OZRZQRFBWUNBPE-QGZVFWFLSA-N 1 0 360.458 1.603 20 70 FDIDRO COC(=O)c1cnc(N2CCC(C[NH+](C)C)CC2)c(S(=O)(=O)F)c1 ZINC001165041996 721951278 /nfs/dbraw/zinc/95/12/78/721951278.db2.gz GTVBNRBWXBGJNM-UHFFFAOYSA-N 1 0 359.423 1.304 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CCO1 ZINC000161046402 258263628 /nfs/dbraw/zinc/26/36/28/258263628.db2.gz XLQUOJDYHRIUPJ-GOSISDBHSA-N 1 0 352.523 1.756 20 70 FDIDRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159376993 173675749 /nfs/dbraw/zinc/67/57/49/173675749.db2.gz YKSOJVXSWQZAKE-LRDDRELGSA-N 1 0 371.890 1.219 20 70 FDIDRO CC[C@H](CO)[NH+]1CCN([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000159741925 173687055 /nfs/dbraw/zinc/68/70/55/173687055.db2.gz JCYJVLYPZXJBNN-DYVFJYSZSA-N 1 0 369.868 1.973 20 70 FDIDRO O=C(CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)NC1CCCC1 ZINC000160064581 173697565 /nfs/dbraw/zinc/69/75/65/173697565.db2.gz FCRRPTZYHPJNHA-MSOLQXFVSA-N 1 0 365.518 1.710 20 70 FDIDRO C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160432600 173711187 /nfs/dbraw/zinc/71/11/87/173711187.db2.gz ASWBPKPRHOAUKP-YUELXQCFSA-N 1 0 354.447 1.588 20 70 FDIDRO CC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000160501101 173714129 /nfs/dbraw/zinc/71/41/29/173714129.db2.gz YIAGBNNJHZPZDV-GOSISDBHSA-N 1 0 361.511 1.997 20 70 FDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000159428596 524667780 /nfs/dbraw/zinc/66/77/80/524667780.db2.gz XKWXGUMXMKKALB-ZJUUUORDSA-N 1 0 362.211 1.931 20 70 FDIDRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1csc(S(C)(=O)=O)c1 ZINC000159431460 524668755 /nfs/dbraw/zinc/66/87/55/524668755.db2.gz GFUIMSUGXQBTAU-UHFFFAOYSA-N 1 0 373.544 1.250 20 70 FDIDRO C[N@H+](CCNC(=O)N1CCC[C@@H]1C(=O)NC1CC1)Cc1ccc(F)cc1 ZINC000159491457 524683949 /nfs/dbraw/zinc/68/39/49/524683949.db2.gz XONIDUCAQCVFBE-QGZVFWFLSA-N 1 0 362.449 1.710 20 70 FDIDRO O=C(N[C@H]1CCN(c2ncccc2Cl)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000159502001 524685875 /nfs/dbraw/zinc/68/58/75/524685875.db2.gz RJWWZTWTEZCLGH-GJZGRUSLSA-N 1 0 361.877 1.969 20 70 FDIDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000159573180 524699376 /nfs/dbraw/zinc/69/93/76/524699376.db2.gz OCTNRHLLNGSSHU-JLTOFOAXSA-N 1 0 372.469 1.736 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1CC ZINC000159670065 524717189 /nfs/dbraw/zinc/71/71/89/524717189.db2.gz MCRUKYKUKSTRPD-GFCCVEGCSA-N 1 0 351.495 1.670 20 70 FDIDRO COCC[NH+]1CCC(NC(=O)NCc2ccnc(OC(C)C)c2)CC1 ZINC000159729880 524728892 /nfs/dbraw/zinc/72/88/92/524728892.db2.gz TZGXKIPZSFBONT-UHFFFAOYSA-N 1 0 350.463 1.779 20 70 FDIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000159812374 524742120 /nfs/dbraw/zinc/74/21/20/524742120.db2.gz GXNFFYATDBCQCJ-OXQOHEQNSA-N 1 0 359.470 1.433 20 70 FDIDRO CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)C[NH2+]CC3CC3)CC2)cc1 ZINC000159818322 524745671 /nfs/dbraw/zinc/74/56/71/524745671.db2.gz VNIAGXKHXBTVJC-MRXNPFEDSA-N 1 0 373.497 1.687 20 70 FDIDRO O=C(CNC(=O)N1CCc2ccccc2C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159841480 524750242 /nfs/dbraw/zinc/75/02/42/524750242.db2.gz JLTGSCLDZWSFQW-UHFFFAOYSA-N 1 0 370.497 1.745 20 70 FDIDRO COCCNC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159905759 524763694 /nfs/dbraw/zinc/76/36/94/524763694.db2.gz NFQMNGDXWPDKDX-INIZCTEOSA-N 1 0 371.441 1.031 20 70 FDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000159903579 524764339 /nfs/dbraw/zinc/76/43/39/524764339.db2.gz KIRXBDSEVQCUEI-AYBZRNKSSA-N 1 0 370.497 1.817 20 70 FDIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000159903706 524764751 /nfs/dbraw/zinc/76/47/51/524764751.db2.gz KIRXBDSEVQCUEI-IEZWGBDMSA-N 1 0 370.497 1.817 20 70 FDIDRO CCn1cc(C(=O)C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)cn1 ZINC000159912007 524765767 /nfs/dbraw/zinc/76/57/67/524765767.db2.gz CYSVDCRCJPQUNC-HNNXBMFYSA-N 1 0 370.453 1.623 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)CC1 ZINC000159974317 524780808 /nfs/dbraw/zinc/78/08/08/524780808.db2.gz DQKBNRKGKMRMKB-HNNXBMFYSA-N 1 0 360.458 1.538 20 70 FDIDRO O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160052564 524797223 /nfs/dbraw/zinc/79/72/23/524797223.db2.gz IWFDCSUUGYTSMD-BLRBJFNZSA-N 1 0 371.481 1.790 20 70 FDIDRO CC(=O)N(CCC(=O)NC[C@H](O)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000160065038 524801310 /nfs/dbraw/zinc/80/13/10/524801310.db2.gz OAKRBVALTDIHIS-IBGZPJMESA-N 1 0 361.486 1.388 20 70 FDIDRO C[NH+](C)C[C@@H](O)COc1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000160108962 524809678 /nfs/dbraw/zinc/80/96/78/524809678.db2.gz NBKJQNLAVFKYLG-OAHLLOKOSA-N 1 0 350.440 1.789 20 70 FDIDRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C[NH3+])C3CCCCC3)ccc21 ZINC000160160134 524819813 /nfs/dbraw/zinc/81/98/13/524819813.db2.gz KQJQOUGETUVSLC-KRWDZBQOSA-N 1 0 365.499 1.782 20 70 FDIDRO Cc1csc(=O)n1CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160232830 524836106 /nfs/dbraw/zinc/83/61/06/524836106.db2.gz GVWFWLOOUPCMGU-HZPDHXFCSA-N 1 0 367.515 1.492 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000160233558 524837870 /nfs/dbraw/zinc/83/78/70/524837870.db2.gz HGLXEXCHQDWPKW-QZTJIDSGSA-N 1 0 374.485 1.039 20 70 FDIDRO CC(C)(C)C(=O)NCCCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160287182 524850441 /nfs/dbraw/zinc/85/04/41/524850441.db2.gz YYMDEAAWDKAFGZ-SJORKVTESA-N 1 0 367.534 1.813 20 70 FDIDRO Cc1cc(=O)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)nn1-c1ccccc1 ZINC000160307683 524854561 /nfs/dbraw/zinc/85/45/61/524854561.db2.gz VQEUDLQELLBMMP-QGZVFWFLSA-N 1 0 370.453 1.118 20 70 FDIDRO Cc1ccc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)cn1 ZINC000160341656 524862816 /nfs/dbraw/zinc/86/28/16/524862816.db2.gz JQPDGYMYOQTPPR-UHFFFAOYSA-N 1 0 362.499 1.806 20 70 FDIDRO CN(C)C(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160357672 524867495 /nfs/dbraw/zinc/86/74/95/524867495.db2.gz VKUATYJXOSLHOM-MOPGFXCFSA-N 1 0 373.497 1.886 20 70 FDIDRO CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160364013 524869017 /nfs/dbraw/zinc/86/90/17/524869017.db2.gz QNKVTPJECGRVOC-MSOLQXFVSA-N 1 0 361.486 1.404 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)co1 ZINC000160363272 524869085 /nfs/dbraw/zinc/86/90/85/524869085.db2.gz JXYUBDSPCABTGH-HNNXBMFYSA-N 1 0 365.455 1.090 20 70 FDIDRO O=C(Cc1ccn(-c2ccc(F)cc2)n1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160359917 524870183 /nfs/dbraw/zinc/87/01/83/524870183.db2.gz KZIAYDCQOWGVPR-GOSISDBHSA-N 1 0 360.433 1.517 20 70 FDIDRO CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)co1 ZINC000160380752 524872983 /nfs/dbraw/zinc/87/29/83/524872983.db2.gz AGZACYUFQCGJRF-TZMCWYRMSA-N 1 0 355.460 1.086 20 70 FDIDRO CCC[NH+]1CCC(NC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000160414054 524883207 /nfs/dbraw/zinc/88/32/07/524883207.db2.gz RZBSSTTWUBWIDS-LJQANCHMSA-N 1 0 358.442 1.345 20 70 FDIDRO C[C@H](CNC(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1)[N@H+](C)C1CC1 ZINC000160430460 524888143 /nfs/dbraw/zinc/88/81/43/524888143.db2.gz HGLXQVYGCVDFFL-LLVKDONJSA-N 1 0 359.430 1.431 20 70 FDIDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(C)[nH]c(C(=O)OC)c2C)CC1 ZINC000160466281 524896512 /nfs/dbraw/zinc/89/65/12/524896512.db2.gz JJGIIHLVDWFMLW-LBPRGKRZSA-N 1 0 350.463 1.174 20 70 FDIDRO COc1ccc(C(C)(C)C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000160482484 524900694 /nfs/dbraw/zinc/90/06/94/524900694.db2.gz ZIDWVPGLUFWPSK-GOSISDBHSA-N 1 0 373.497 1.914 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1CC ZINC000160493955 524902634 /nfs/dbraw/zinc/90/26/34/524902634.db2.gz XPMBJFFSYLENJB-AWEZNQCLSA-N 1 0 361.490 1.665 20 70 FDIDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000160503742 524905057 /nfs/dbraw/zinc/90/50/57/524905057.db2.gz YYSXPHSONVDCAG-DLBZAZTESA-N 1 0 368.522 1.027 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160539626 524910761 /nfs/dbraw/zinc/91/07/61/524910761.db2.gz OUHDUOBNXAMPQO-INIZCTEOSA-N 1 0 365.449 1.239 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000160573728 524919044 /nfs/dbraw/zinc/91/90/44/524919044.db2.gz UOAJAOORKXWGFC-AWEZNQCLSA-N 1 0 354.472 1.460 20 70 FDIDRO COc1cc(C(=O)NCC2CC[NH+](CCO)CC2)ccc1OC(F)F ZINC000160633446 524933225 /nfs/dbraw/zinc/93/32/25/524933225.db2.gz ORNVUCUZFIEPKV-UHFFFAOYSA-N 1 0 358.385 1.731 20 70 FDIDRO Cc1cc(C)n(-c2ccc(C(=O)NCC3CC[NH+](CCO)CC3)cn2)n1 ZINC000160643630 524937388 /nfs/dbraw/zinc/93/73/88/524937388.db2.gz STORHFJVMLDTAV-UHFFFAOYSA-N 1 0 357.458 1.318 20 70 FDIDRO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnc3c(c2)ncn3C)ncn1 ZINC000160649168 524937863 /nfs/dbraw/zinc/93/78/63/524937863.db2.gz HUXRQGFKTIXUJN-CYBMUJFWSA-N 1 0 366.429 1.199 20 70 FDIDRO O=C(NCCCC[NH+]1CCOCC1)c1cc(N2CCCC2=O)ccc1F ZINC000160677970 524946986 /nfs/dbraw/zinc/94/69/86/524946986.db2.gz WIVKMYYWWSKTPX-UHFFFAOYSA-N 1 0 363.433 1.795 20 70 FDIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000160783811 524971614 /nfs/dbraw/zinc/97/16/14/524971614.db2.gz CPXPGHSEYOYHQI-SJLPKXTDSA-N 1 0 356.470 1.886 20 70 FDIDRO CN(C(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160877880 524988553 /nfs/dbraw/zinc/98/85/53/524988553.db2.gz WNZRXSLJKONVDM-MRXNPFEDSA-N 1 0 374.485 1.915 20 70 FDIDRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000160918113 524996945 /nfs/dbraw/zinc/99/69/45/524996945.db2.gz MKWHTTIMQCSRPJ-UHFFFAOYSA-N 1 0 369.263 1.631 20 70 FDIDRO Cc1nnnn1-c1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000160938275 524999369 /nfs/dbraw/zinc/99/93/69/524999369.db2.gz LKNJEIVOLVARDH-WMLDXEAASA-N 1 0 355.446 1.919 20 70 FDIDRO C[NH+](C)CCNC(=O)c1cc(I)c(F)cc1F ZINC000160975456 525008515 /nfs/dbraw/zinc/00/85/15/525008515.db2.gz UFUXTEXKDYPGFK-UHFFFAOYSA-N 1 0 354.138 1.861 20 70 FDIDRO Cc1conc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000161025869 525019146 /nfs/dbraw/zinc/01/91/46/525019146.db2.gz BMPSJYUQVSMMCJ-INIZCTEOSA-N 1 0 356.426 1.602 20 70 FDIDRO Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c(O)c1 ZINC000161037332 525021411 /nfs/dbraw/zinc/02/14/11/525021411.db2.gz YTKDJXRANGDMMA-SFHVURJKSA-N 1 0 369.465 1.720 20 70 FDIDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 ZINC000161060158 525024019 /nfs/dbraw/zinc/02/40/19/525024019.db2.gz VBWKABYZBKTSKC-PXTSUWAFSA-N 1 0 359.470 1.350 20 70 FDIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCOc1ccc(Cl)cn1 ZINC000161097232 525033283 /nfs/dbraw/zinc/03/32/83/525033283.db2.gz KGMUSRPHNHJHOJ-AWEZNQCLSA-N 1 0 356.854 1.524 20 70 FDIDRO COc1ccccc1O[C@@H](C)CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000161153731 525043902 /nfs/dbraw/zinc/04/39/02/525043902.db2.gz PSVRLCMGCXSXDQ-ZDUSSCGKSA-N 1 0 359.430 1.409 20 70 FDIDRO CNC(=O)NC(=O)[C@@H](C)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000161197061 525052135 /nfs/dbraw/zinc/05/21/35/525052135.db2.gz QTEZJQYGXGIOOY-CQSZACIVSA-N 1 0 361.490 1.721 20 70 FDIDRO CCC(CC)(C[NH3+])C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000161194793 525052478 /nfs/dbraw/zinc/05/24/78/525052478.db2.gz GXWPPXSVXBJVQW-QGZVFWFLSA-N 1 0 361.486 1.977 20 70 FDIDRO Cc1c(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)cccc1S(N)(=O)=O ZINC000161201320 525053382 /nfs/dbraw/zinc/05/33/82/525053382.db2.gz HBAVFPMOFKNXCF-OAHLLOKOSA-N 1 0 367.515 1.883 20 70 FDIDRO Cc1c(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)nnn1C1CC[NH2+]CC1 ZINC000161214727 525056884 /nfs/dbraw/zinc/05/68/84/525056884.db2.gz JLJIZROMQRKVBK-HZPDHXFCSA-N 1 0 357.462 1.621 20 70 FDIDRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000161250815 525064744 /nfs/dbraw/zinc/06/47/44/525064744.db2.gz UCQDOOTVKYODBJ-IRXDYDNUSA-N 1 0 359.470 1.575 20 70 FDIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000161252221 525066359 /nfs/dbraw/zinc/06/63/59/525066359.db2.gz HCUDBZLXJCBZJV-QGZVFWFLSA-N 1 0 361.486 1.821 20 70 FDIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000161262503 525069545 /nfs/dbraw/zinc/06/95/45/525069545.db2.gz VCANWASNFFTQLL-UHFFFAOYSA-N 1 0 364.465 1.674 20 70 FDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)C1 ZINC000161285652 525072771 /nfs/dbraw/zinc/07/27/71/525072771.db2.gz HTNFIPZNINHBMZ-WBMJQRKESA-N 1 0 359.470 1.989 20 70 FDIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc2ccccc2c1 ZINC000161300979 525076920 /nfs/dbraw/zinc/07/69/20/525076920.db2.gz PLVARTDHMREMKL-UHFFFAOYSA-N 1 0 366.483 1.401 20 70 FDIDRO CN1C(=O)C[C@@H](C(=O)N[C@@H]2CCN(c3ccccn3)C2)[C@@H]1c1cccnc1 ZINC000161315724 525078911 /nfs/dbraw/zinc/07/89/11/525078911.db2.gz ZQWPYAWLBBLMKM-MDZRGWNJSA-N 1 0 365.437 1.391 20 70 FDIDRO Cc1cc(C)c(Br)c(C(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000161315252 525079304 /nfs/dbraw/zinc/07/93/04/525079304.db2.gz CWZBHULCRMNNFS-ZDUSSCGKSA-N 1 0 352.276 1.796 20 70 FDIDRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CCn2ccnc2C1 ZINC000161433995 525108256 /nfs/dbraw/zinc/10/82/56/525108256.db2.gz WRQKZKVUWHQWHN-SFHVURJKSA-N 1 0 368.481 1.719 20 70 FDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000161458128 525111342 /nfs/dbraw/zinc/11/13/42/525111342.db2.gz GLVAZKCZKZGPTJ-LBPRGKRZSA-N 1 0 358.357 1.435 20 70 FDIDRO CC(C)CCOc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000161505663 525119961 /nfs/dbraw/zinc/11/99/61/525119961.db2.gz RURWKXSEPUEPEZ-QGZVFWFLSA-N 1 0 358.504 1.702 20 70 FDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000161508110 525121631 /nfs/dbraw/zinc/12/16/31/525121631.db2.gz GIDOVBMKCHFHAZ-ZDUSSCGKSA-N 1 0 355.287 1.725 20 70 FDIDRO O=C(C[C@H]1CCC[NH2+]1)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000159664832 173685224 /nfs/dbraw/zinc/68/52/24/173685224.db2.gz VZVMLBDESGMAGY-QGZVFWFLSA-N 1 0 365.499 1.239 20 70 FDIDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000159975579 173694326 /nfs/dbraw/zinc/69/43/26/173694326.db2.gz YNNGJSMZXONKOP-UHFFFAOYSA-N 1 0 357.458 1.967 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccnc(OCC(F)(F)F)c1 ZINC000160010615 173695450 /nfs/dbraw/zinc/69/54/50/173695450.db2.gz BXRSEJVJCDBBSF-CYBMUJFWSA-N 1 0 361.364 1.599 20 70 FDIDRO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000160345770 173707737 /nfs/dbraw/zinc/70/77/37/173707737.db2.gz YSIQFHNJJLMMMN-AWEZNQCLSA-N 1 0 373.544 1.749 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000161448442 173741704 /nfs/dbraw/zinc/74/17/04/173741704.db2.gz CDWCTHGXGAHLAJ-GFCCVEGCSA-N 1 0 374.812 1.950 20 70 FDIDRO CC1CCC(NC(=O)CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000159416199 524664319 /nfs/dbraw/zinc/66/43/19/524664319.db2.gz ZPDXBUJYOZGBLQ-DQPZFDDXSA-N 1 0 350.507 1.095 20 70 FDIDRO CCn1nnnc1-c1cccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000159583489 524701251 /nfs/dbraw/zinc/70/12/51/524701251.db2.gz OMBOUVZQDLOGIX-UHFFFAOYSA-N 1 0 367.417 1.128 20 70 FDIDRO C[N@@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C[C@H]1CCC[C@@H]1O ZINC000159589681 524704505 /nfs/dbraw/zinc/70/45/05/524704505.db2.gz NHUQZIFKMLKGCI-NJAFHUGGSA-N 1 0 350.434 1.818 20 70 FDIDRO C[C@H]1C[C@H](NC(=O)NCC2(CO)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000159612859 524707582 /nfs/dbraw/zinc/70/75/82/524707582.db2.gz FGBKXBGCCGMYRR-WMZOPIPTSA-N 1 0 361.486 1.738 20 70 FDIDRO CCn1c(N)c(C(=O)C[NH2+]C(C)(C)c2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000159614862 524707941 /nfs/dbraw/zinc/70/79/41/524707941.db2.gz KYUZDKRMCDWUTL-UHFFFAOYSA-N 1 0 364.833 1.500 20 70 FDIDRO CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000159611177 524708010 /nfs/dbraw/zinc/70/80/10/524708010.db2.gz MRPPCCCRDOZBFB-INIZCTEOSA-N 1 0 352.500 1.981 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000159641110 524712491 /nfs/dbraw/zinc/71/24/91/524712491.db2.gz UPNJMYWHHYAGKH-IBGZPJMESA-N 1 0 360.502 1.797 20 70 FDIDRO COc1ccc(CNC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1OC ZINC000159663479 524716679 /nfs/dbraw/zinc/71/66/79/524716679.db2.gz PDWGMOYQNIKDOT-KBMXLJTQSA-N 1 0 350.459 1.801 20 70 FDIDRO CC(C)CNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159759917 524732918 /nfs/dbraw/zinc/73/29/18/524732918.db2.gz ZRPFFGLGIBDYMT-IYBDPMFKSA-N 1 0 365.499 1.587 20 70 FDIDRO CCc1cc(N2CCC[C@H](NC(=O)N3CC[N@H+](C)C[C@@H]3C(C)C)C2)ncn1 ZINC000159830843 524746944 /nfs/dbraw/zinc/74/69/44/524746944.db2.gz UQYUUVHCODVQNC-ZWKOTPCHSA-N 1 0 374.533 1.989 20 70 FDIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000159850593 524752575 /nfs/dbraw/zinc/75/25/75/524752575.db2.gz GTVHPPMUQCCHOC-QWHCGFSZSA-N 1 0 358.446 1.931 20 70 FDIDRO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCCS2(=O)=O)c1 ZINC000159864106 524754929 /nfs/dbraw/zinc/75/49/29/524754929.db2.gz NVUFUEHGIYFBLE-INIZCTEOSA-N 1 0 353.488 1.515 20 70 FDIDRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(-n4ccnn4)cc3)C2=O)n(C)n1 ZINC000159864826 524755177 /nfs/dbraw/zinc/75/51/77/524755177.db2.gz JHUXLQGLOIDWRB-PBHICJAKSA-N 1 0 365.441 1.765 20 70 FDIDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1CCCS1(=O)=O ZINC000159870118 524758560 /nfs/dbraw/zinc/75/85/60/524758560.db2.gz SENZCGLANIXVJY-QGZVFWFLSA-N 1 0 365.499 1.659 20 70 FDIDRO COc1nn(C)c2nc(C)c(CCC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c(C)c12 ZINC000159914146 524767717 /nfs/dbraw/zinc/76/77/17/524767717.db2.gz YLONNADJJIFYMQ-GASCZTMLSA-N 1 0 371.485 1.879 20 70 FDIDRO O=C(CCCNC(=O)c1ccsc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159952351 524776131 /nfs/dbraw/zinc/77/61/31/524776131.db2.gz SEAVAJLSLRZEGQ-HNNXBMFYSA-N 1 0 353.488 1.221 20 70 FDIDRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](CO)Cc3ccccc3)cc2)CC1 ZINC000159961832 524777212 /nfs/dbraw/zinc/77/72/12/524777212.db2.gz LOSBODNJGYIFBQ-OAQYLSRUSA-N 1 0 367.493 1.767 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000159985406 524782865 /nfs/dbraw/zinc/78/28/65/524782865.db2.gz JMBUJIDSHMLDGC-MRXNPFEDSA-N 1 0 374.441 1.912 20 70 FDIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC(=O)N1CCOCC1 ZINC000159988079 524783022 /nfs/dbraw/zinc/78/30/22/524783022.db2.gz FIUHLVPLBPHQGY-WMZOPIPTSA-N 1 0 374.485 1.007 20 70 FDIDRO O=C(CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)NC1CCCC1 ZINC000160064852 524800687 /nfs/dbraw/zinc/80/06/87/524800687.db2.gz FCRRPTZYHPJNHA-QZTJIDSGSA-N 1 0 365.518 1.710 20 70 FDIDRO C[C@@H]1C[C@H](NC(=O)N2CCC(NC(N)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160118005 524812382 /nfs/dbraw/zinc/81/23/82/524812382.db2.gz POQZAOBPHRIQEI-PBHICJAKSA-N 1 0 359.474 1.492 20 70 FDIDRO CN(CC(=O)Nc1cccc(I)c1)[C@H](C[NH3+])C1CC1 ZINC000160154075 524819833 /nfs/dbraw/zinc/81/98/33/524819833.db2.gz BAMKEBQPKRPGIG-CYBMUJFWSA-N 1 0 373.238 1.899 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc2c1OCCO2 ZINC000160158313 524820352 /nfs/dbraw/zinc/82/03/52/524820352.db2.gz RDEMAZCMLNHUHT-SJORKVTESA-N 1 0 360.454 1.956 20 70 FDIDRO CNC(=O)c1ccc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000160150378 524820546 /nfs/dbraw/zinc/82/05/46/524820546.db2.gz FJDRGPLRGHPRDK-UHFFFAOYSA-N 1 0 351.472 1.199 20 70 FDIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000160178783 524824415 /nfs/dbraw/zinc/82/44/15/524824415.db2.gz FDFUIKDWGLRFQS-GOEBONIOSA-N 1 0 357.462 1.705 20 70 FDIDRO C[C@H]1C[C@H](NC(=O)N2CCN3C(=O)NC[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000160189706 524826673 /nfs/dbraw/zinc/82/66/73/524826673.db2.gz OKUUMBVQDOKCIG-BHYGNILZSA-N 1 0 357.458 1.068 20 70 FDIDRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000160348476 524865498 /nfs/dbraw/zinc/86/54/98/524865498.db2.gz TXBZETBUAXDVPE-KGLIPLIRSA-N 1 0 371.528 1.359 20 70 FDIDRO C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160432519 524886182 /nfs/dbraw/zinc/88/61/82/524886182.db2.gz ASWBPKPRHOAUKP-AEGPPILISA-N 1 0 354.447 1.588 20 70 FDIDRO O=C(CNC(=O)c1cccc(Cl)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160436025 524889124 /nfs/dbraw/zinc/88/91/24/524889124.db2.gz AGGUHHSOAVKOCW-HNNXBMFYSA-N 1 0 353.850 1.033 20 70 FDIDRO COc1cccc(CO[C@@H](C)C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160469492 524896009 /nfs/dbraw/zinc/89/60/09/524896009.db2.gz HEQHWIYBDXBJTE-RDJZCZTQSA-N 1 0 350.459 1.563 20 70 FDIDRO COCCC[NH+]1CCC(NC(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000160468562 524896266 /nfs/dbraw/zinc/89/62/66/524896266.db2.gz BHPCLGOWXZGFCG-UHFFFAOYSA-N 1 0 360.501 1.382 20 70 FDIDRO CC(C)[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000160486355 524899321 /nfs/dbraw/zinc/89/93/21/524899321.db2.gz HGPZLLUWKCLDPT-BDXSIMOUSA-N 1 0 355.523 1.083 20 70 FDIDRO CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160516091 524905777 /nfs/dbraw/zinc/90/57/77/524905777.db2.gz BTOVRSAGLLHSTQ-FGTMMUONSA-N 1 0 358.486 1.863 20 70 FDIDRO CC(=O)NCc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160531299 524910088 /nfs/dbraw/zinc/91/00/88/524910088.db2.gz SKAFQTWPJZCFAG-WOJBJXKFSA-N 1 0 373.497 1.820 20 70 FDIDRO CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H]([NH2+]C)C2)c1 ZINC000160555268 524914503 /nfs/dbraw/zinc/91/45/03/524914503.db2.gz OHMTUBGOTVOMMC-AWEZNQCLSA-N 1 0 353.488 1.459 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000160575496 524920018 /nfs/dbraw/zinc/92/00/18/524920018.db2.gz RODASLOKUMKSFB-RTBURBONSA-N 1 0 373.497 1.644 20 70 FDIDRO O=C(Nc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1)NC1CC1 ZINC000160640717 524936237 /nfs/dbraw/zinc/93/62/37/524936237.db2.gz PSJHVMYZDUBYMU-QGZVFWFLSA-N 1 0 360.458 1.547 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ncn(-c2ccccc2)n1 ZINC000160649004 524937764 /nfs/dbraw/zinc/93/77/64/524937764.db2.gz OZLAKIJJWTWIOU-QZTJIDSGSA-N 1 0 369.469 1.765 20 70 FDIDRO O=C(NC[C@H]1CCCS1(=O)=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000160660553 524940412 /nfs/dbraw/zinc/94/04/12/524940412.db2.gz QIPPECJHZJUKRF-QGZVFWFLSA-N 1 0 371.547 1.861 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000160660687 524940963 /nfs/dbraw/zinc/94/09/63/524940963.db2.gz ACUUHRIQGLGSKC-BBWFWOEESA-N 1 0 360.454 1.524 20 70 FDIDRO C[C@H](NC(=O)c1ccco1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160662050 524941417 /nfs/dbraw/zinc/94/14/17/524941417.db2.gz OIJUNRNVTZIACL-IMJJTQAJSA-N 1 0 363.458 1.282 20 70 FDIDRO CC1CC[NH+](CCNC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000160727181 524957241 /nfs/dbraw/zinc/95/72/41/524957241.db2.gz PQHHUEZRCAGIIX-CQSZACIVSA-N 1 0 369.491 1.096 20 70 FDIDRO NC(=O)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Cc1ccc(F)cc1 ZINC000160771976 524966938 /nfs/dbraw/zinc/96/69/38/524966938.db2.gz GTXGAXNVXMCXEB-NVXWUHKLSA-N 1 0 362.449 1.253 20 70 FDIDRO COc1ccc(C(C)(C)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000160860322 524985019 /nfs/dbraw/zinc/98/50/19/524985019.db2.gz NKQRROBKMJARPO-HNNXBMFYSA-N 1 0 361.486 1.676 20 70 FDIDRO COC[C@H](O)CCNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000160911484 524994420 /nfs/dbraw/zinc/99/44/20/524994420.db2.gz PZGOHOHJKGWBDN-WBVHZDCISA-N 1 0 374.403 1.955 20 70 FDIDRO Cc1nc(CCNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)sc1C ZINC000160907012 524994498 /nfs/dbraw/zinc/99/44/98/524994498.db2.gz YNUVHUFAFFDONT-INIZCTEOSA-N 1 0 367.563 1.874 20 70 FDIDRO Cc1nnc([C@@H]2CN(C(=O)NC[C@H]3CCCC[N@H+]3CC(C)C)CCO2)[nH]1 ZINC000160935227 525000972 /nfs/dbraw/zinc/00/09/72/525000972.db2.gz GMJRCFXEVULMIX-CVEARBPZSA-N 1 0 364.494 1.707 20 70 FDIDRO O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1=O)[C@@H]1CCC[NH2+]C1 ZINC000161012882 525017622 /nfs/dbraw/zinc/01/76/22/525017622.db2.gz PNXMAFVXIUNNRA-VXGBXAGGSA-N 1 0 353.369 1.509 20 70 FDIDRO C[N@H+](CCCO)C1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000161052231 525022006 /nfs/dbraw/zinc/02/20/06/525022006.db2.gz HOWWJINUWLLWRN-CQSZACIVSA-N 1 0 351.413 1.318 20 70 FDIDRO Cn1cnc2cc(C(=O)Nc3cnn(CC[NH+]4CCCCC4)c3)cnc21 ZINC000161091412 525031490 /nfs/dbraw/zinc/03/14/90/525031490.db2.gz GWCCSOXETGKAQS-UHFFFAOYSA-N 1 0 353.430 1.903 20 70 FDIDRO Cc1cc(C[C@@H](C)NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[nH]n1 ZINC000161141561 525041477 /nfs/dbraw/zinc/04/14/77/525041477.db2.gz HOISIMFZHVJTLP-OAHLLOKOSA-N 1 0 355.486 1.827 20 70 FDIDRO CCS(=O)(=O)c1cccc(CC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000161265049 525068826 /nfs/dbraw/zinc/06/88/26/525068826.db2.gz LHMAOZGZLCOIIS-FUHWJXTLSA-N 1 0 364.511 1.965 20 70 FDIDRO CN(Cc1ccco1)C(=O)C[C@@]1(C(=O)N(C)Cc2ccco2)CC[NH2+]C1 ZINC000161304366 525075607 /nfs/dbraw/zinc/07/56/07/525075607.db2.gz BNISKCVVQYDIFP-IBGZPJMESA-N 1 0 359.426 1.859 20 70 FDIDRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C1CC1)C1CCCC1 ZINC000161394710 525099895 /nfs/dbraw/zinc/09/98/95/525099895.db2.gz DFRLWXMWNFKEKD-UHFFFAOYSA-N 1 0 351.472 1.988 20 70 FDIDRO CCn1c(=O)[nH]c2cc(C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3C)ccc2c1=O ZINC000161403333 525100634 /nfs/dbraw/zinc/10/06/34/525100634.db2.gz GAJXEFAFHLGDOA-LRDDRELGSA-N 1 0 358.442 1.168 20 70 FDIDRO NC(=O)C1CCN(c2ncccc2C[NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161438093 525109144 /nfs/dbraw/zinc/10/91/44/525109144.db2.gz UKGBBVGKBRULNM-UHFFFAOYSA-N 1 0 374.485 1.559 20 70 FDIDRO CC(C)OCCS(=O)(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000161127591 258263547 /nfs/dbraw/zinc/26/35/47/258263547.db2.gz SLFPMYWAKKDPJZ-UHFFFAOYSA-N 1 0 370.515 1.488 20 70 FDIDRO CCC[C@H]1CN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CCO1 ZINC000161046514 258263584 /nfs/dbraw/zinc/26/35/84/258263584.db2.gz XLQUOJDYHRIUPJ-SFHVURJKSA-N 1 0 352.523 1.756 20 70 FDIDRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000160098687 173698306 /nfs/dbraw/zinc/69/83/06/173698306.db2.gz LDOWMWPWKBDBSW-NSHDSACASA-N 1 0 360.863 1.702 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NCCC[NH3+] ZINC000160122110 173699826 /nfs/dbraw/zinc/69/98/26/173699826.db2.gz UQHQEPYUPOTZER-CQSZACIVSA-N 1 0 353.488 1.637 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000160256122 173704367 /nfs/dbraw/zinc/70/43/67/173704367.db2.gz YPQMVSWDHHPNMO-HZPDHXFCSA-N 1 0 365.499 1.345 20 70 FDIDRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161404591 173740221 /nfs/dbraw/zinc/74/02/21/173740221.db2.gz SDRQHUVMJPOVDB-CABCVRRESA-N 1 0 353.488 1.249 20 70 FDIDRO Cc1c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cnn1C1CCOCC1 ZINC000159361314 524651101 /nfs/dbraw/zinc/65/11/01/524651101.db2.gz QPEQAWQJCRLLPC-HNNXBMFYSA-N 1 0 363.506 1.156 20 70 FDIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC000159364555 524653195 /nfs/dbraw/zinc/65/31/95/524653195.db2.gz QEMHRJJBWOXGLD-SFHVURJKSA-N 1 0 354.458 1.181 20 70 FDIDRO Cc1ccc(N2CC[C@@H](N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)C2=O)cc1 ZINC000159368225 524653375 /nfs/dbraw/zinc/65/33/75/524653375.db2.gz DHOZFVKJYUMZRJ-RTBURBONSA-N 1 0 370.497 1.514 20 70 FDIDRO Cc1cc(C)n2c(C[N@@H+]3CCCC[C@@H]3CCNS(C)(=O)=O)cnc2n1 ZINC000159416513 524666629 /nfs/dbraw/zinc/66/66/29/524666629.db2.gz UNOOZVGIHPFUSF-OAHLLOKOSA-N 1 0 365.503 1.640 20 70 FDIDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000159448288 524672206 /nfs/dbraw/zinc/67/22/06/524672206.db2.gz YYZLCMWZCBSXSY-MRXNPFEDSA-N 1 0 363.487 1.561 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000159461895 524676199 /nfs/dbraw/zinc/67/61/99/524676199.db2.gz FKOKRMNOIXTYJD-QGZVFWFLSA-N 1 0 361.490 1.544 20 70 FDIDRO C[C@H]1C[NH+](CCCNC(=O)NC[C@](C)(O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000159484218 524681136 /nfs/dbraw/zinc/68/11/36/524681136.db2.gz NPGOLGZTIJFSBX-DOXZYTNZSA-N 1 0 367.465 1.832 20 70 FDIDRO C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000159560859 524696795 /nfs/dbraw/zinc/69/67/95/524696795.db2.gz JMTWBEGNLOOPRT-HKUYNNGSSA-N 1 0 373.497 1.908 20 70 FDIDRO CCC(CC)(CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)C(=O)OC ZINC000159674076 524719194 /nfs/dbraw/zinc/71/91/94/524719194.db2.gz AGHGKMOXVLHEHX-OAHLLOKOSA-N 1 0 356.511 1.149 20 70 FDIDRO O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159834551 524748328 /nfs/dbraw/zinc/74/83/28/524748328.db2.gz XIBBTRUUXNFSGN-UHFFFAOYSA-N 1 0 352.438 1.837 20 70 FDIDRO CC[C@H]1CN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC[N@@H+]1CCOC ZINC000159927762 524769887 /nfs/dbraw/zinc/76/98/87/524769887.db2.gz MAFKWIRUJCSPEP-UONOGXRCSA-N 1 0 351.413 1.582 20 70 FDIDRO O=C(CCCNC(=O)c1ccsc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159952498 524775217 /nfs/dbraw/zinc/77/52/17/524775217.db2.gz SEAVAJLSLRZEGQ-OAHLLOKOSA-N 1 0 353.488 1.221 20 70 FDIDRO O=C(CCc1nc(-c2cccs2)no1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159980243 524779164 /nfs/dbraw/zinc/77/91/64/524779164.db2.gz OPRIGIKUIKBDSR-CYBMUJFWSA-N 1 0 364.471 1.694 20 70 FDIDRO C[C@H]1C[C@H](N(C)S(=O)(=O)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000160005277 524786540 /nfs/dbraw/zinc/78/65/40/524786540.db2.gz OHDXJTSIBWTRBG-FUHWJXTLSA-N 1 0 367.515 1.548 20 70 FDIDRO CC1CCN(c2ccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cn2)CC1 ZINC000160017307 524789740 /nfs/dbraw/zinc/78/97/40/524789740.db2.gz MCRQLXIFWUBYAB-SFHVURJKSA-N 1 0 360.502 1.895 20 70 FDIDRO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)CN1CCOCC1 ZINC000160017121 524790041 /nfs/dbraw/zinc/79/00/41/524790041.db2.gz ZDWBMPFYFJQQDK-ICSRJNTNSA-N 1 0 374.529 1.919 20 70 FDIDRO O=C(NCCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1c(F)cccc1F ZINC000160019518 524790710 /nfs/dbraw/zinc/79/07/10/524790710.db2.gz JGTUQTAKVQLYOM-INIZCTEOSA-N 1 0 359.376 1.525 20 70 FDIDRO COCCN1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160041418 524794410 /nfs/dbraw/zinc/79/44/10/524794410.db2.gz ITSKOWQQAWYBML-HKUYNNGSSA-N 1 0 360.502 1.623 20 70 FDIDRO CNC(=O)Cn1cc(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000160061404 524798551 /nfs/dbraw/zinc/79/85/51/524798551.db2.gz HDGCMBGEZYIUMD-GOEBONIOSA-N 1 0 370.457 1.414 20 70 FDIDRO CNS(=O)(=O)c1cccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000160084378 524805085 /nfs/dbraw/zinc/80/50/85/524805085.db2.gz JWMOLQSIMOURLO-UHFFFAOYSA-N 1 0 361.467 1.586 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCc2ccnc(OC)c2)CC[N@@H+]1CCOC ZINC000160125887 524813982 /nfs/dbraw/zinc/81/39/82/524813982.db2.gz NBRYZCHNHLDASS-MRXNPFEDSA-N 1 0 350.463 1.733 20 70 FDIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160136228 524816461 /nfs/dbraw/zinc/81/64/61/524816461.db2.gz IZIDPXGFZBAJNR-SFHVURJKSA-N 1 0 361.490 1.020 20 70 FDIDRO COCCOc1ccc(Cl)cc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160139023 524819026 /nfs/dbraw/zinc/81/90/26/524819026.db2.gz JRFIAFVOIHYUSX-HNNXBMFYSA-N 1 0 370.877 1.942 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000160167769 524822150 /nfs/dbraw/zinc/82/21/50/524822150.db2.gz XDTRNSUDYWIJTG-SJORKVTESA-N 1 0 360.454 1.956 20 70 FDIDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)nc2)[C@H](C)C1 ZINC000160185841 524826042 /nfs/dbraw/zinc/82/60/42/524826042.db2.gz KGWJLZHEKTZHFC-HIFRSBDPSA-N 1 0 366.437 1.412 20 70 FDIDRO Cc1conc1NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000160196380 524829483 /nfs/dbraw/zinc/82/94/83/524829483.db2.gz XEUXIOXGLBQSIZ-UHFFFAOYSA-N 1 0 371.441 1.250 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000160255989 524843136 /nfs/dbraw/zinc/84/31/36/524843136.db2.gz YPQMVSWDHHPNMO-JKSUJKDBSA-N 1 0 365.499 1.345 20 70 FDIDRO Cc1nn(C)c2ncc(S(=O)(=O)NC[C@H]3CCC[N@H+]3CC(C)C)cc12 ZINC000160285734 524849643 /nfs/dbraw/zinc/84/96/43/524849643.db2.gz JXSNWFZSVDDSDR-CQSZACIVSA-N 1 0 365.503 1.675 20 70 FDIDRO COC1(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[NH2+]CC1 ZINC000160398946 524877656 /nfs/dbraw/zinc/87/76/56/524877656.db2.gz AFOIUSDIFCPLCL-AWEZNQCLSA-N 1 0 351.834 1.330 20 70 FDIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160396751 524877825 /nfs/dbraw/zinc/87/78/25/524877825.db2.gz RVQXQHSJKJLYIS-LBPRGKRZSA-N 1 0 372.311 1.176 20 70 FDIDRO CN(C[C@@H]1CCC[C@H]1O)C(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000160412332 524883383 /nfs/dbraw/zinc/88/33/83/524883383.db2.gz LSTRHFSXQMDTCT-PKOBYXMFSA-N 1 0 360.502 1.891 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000160448270 524891756 /nfs/dbraw/zinc/89/17/56/524891756.db2.gz PRUQYPCOFLECDO-UHFFFAOYSA-N 1 0 361.895 1.594 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1CC ZINC000160468346 524894827 /nfs/dbraw/zinc/89/48/27/524894827.db2.gz WTMQBZLTFNYREJ-GUYCJALGSA-N 1 0 363.506 1.766 20 70 FDIDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c2cnn(C)c2n1 ZINC000160464884 524895328 /nfs/dbraw/zinc/89/53/28/524895328.db2.gz BKKLBKAAEKUJNO-ROUUACIJSA-N 1 0 371.485 1.774 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1n[nH]c(=O)c2ccccc21 ZINC000160553462 524914377 /nfs/dbraw/zinc/91/43/77/524914377.db2.gz XIXLIDVKUJHFNV-DLBZAZTESA-N 1 0 370.453 1.421 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000160558943 524915981 /nfs/dbraw/zinc/91/59/81/524915981.db2.gz CXPSTCWRBDIFCK-INIZCTEOSA-N 1 0 371.437 1.853 20 70 FDIDRO Cc1nn(C)c(C)c1OCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160582282 524921623 /nfs/dbraw/zinc/92/16/23/524921623.db2.gz GHMZEIFGXKLMCD-IRXDYDNUSA-N 1 0 364.490 1.300 20 70 FDIDRO CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000160635382 524933596 /nfs/dbraw/zinc/93/35/96/524933596.db2.gz DEULXFZBPXUJBF-INIZCTEOSA-N 1 0 353.507 1.092 20 70 FDIDRO O=C(Nc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1)NC1CC1 ZINC000160640578 524934920 /nfs/dbraw/zinc/93/49/20/524934920.db2.gz PSJHVMYZDUBYMU-KRWDZBQOSA-N 1 0 360.458 1.547 20 70 FDIDRO CCc1c(C(=O)NCC2CC[NH+](CCO)CC2)cnn1-c1ccccc1 ZINC000160642330 524935213 /nfs/dbraw/zinc/93/52/13/524935213.db2.gz NECKBDUGQPMTMR-UHFFFAOYSA-N 1 0 356.470 1.869 20 70 FDIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000160729460 524958705 /nfs/dbraw/zinc/95/87/05/524958705.db2.gz RYNISFWVCDJCHI-ZDUSSCGKSA-N 1 0 366.403 1.698 20 70 FDIDRO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)C[C@H](O)C1CC1 ZINC000160818065 524975976 /nfs/dbraw/zinc/97/59/76/524975976.db2.gz YWHHEYQPGXERJE-CZKNSSDISA-N 1 0 363.502 1.872 20 70 FDIDRO O=C([C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCC[NH2+]CC1 ZINC000160839020 524982405 /nfs/dbraw/zinc/98/24/05/524982405.db2.gz RBDILCFQYYBDMU-AWEZNQCLSA-N 1 0 369.387 1.876 20 70 FDIDRO CCOC(=O)CNC(=O)C1CC[NH+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000160908612 524994207 /nfs/dbraw/zinc/99/42/07/524994207.db2.gz OOSZVRYXMKMNAC-UHFFFAOYSA-N 1 0 360.454 1.959 20 70 FDIDRO Cn1c2cc(C(=O)N3CCC(OCCC[NH+](C)C)CC3)ccc2[nH]c1=O ZINC000160909527 524995019 /nfs/dbraw/zinc/99/50/19/524995019.db2.gz IEUYHYFCNDWIMA-UHFFFAOYSA-N 1 0 360.458 1.440 20 70 FDIDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCNS(C)(=O)=O)CC1 ZINC000160918524 524996497 /nfs/dbraw/zinc/99/64/97/524996497.db2.gz SFIBLDFWXFBJKT-HNNXBMFYSA-N 1 0 374.551 1.222 20 70 FDIDRO Cc1nnc([C@@H]2CN(C(=O)NC[C@@H]3CCCC[N@H+]3CC(C)C)CCO2)[nH]1 ZINC000160935051 525000191 /nfs/dbraw/zinc/00/01/91/525000191.db2.gz GMJRCFXEVULMIX-HOTGVXAUSA-N 1 0 364.494 1.707 20 70 FDIDRO O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1=O)[C@@H]1CCC[NH2+]C1 ZINC000161012767 525016540 /nfs/dbraw/zinc/01/65/40/525016540.db2.gz PNXMAFVXIUNNRA-NEPJUHHUSA-N 1 0 353.369 1.509 20 70 FDIDRO COCCC1(CNC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000161033606 525020341 /nfs/dbraw/zinc/02/03/41/525020341.db2.gz PHXQJCQYLZKQKU-QGZVFWFLSA-N 1 0 352.523 1.615 20 70 FDIDRO C[N@H+](CCCO)C1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000161052375 525022032 /nfs/dbraw/zinc/02/20/32/525022032.db2.gz HOWWJINUWLLWRN-AWEZNQCLSA-N 1 0 351.413 1.318 20 70 FDIDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1 ZINC000161038633 525022168 /nfs/dbraw/zinc/02/21/68/525022168.db2.gz JQSCWCDDQVMEGF-IBGZPJMESA-N 1 0 369.465 1.340 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000161050656 525022847 /nfs/dbraw/zinc/02/28/47/525022847.db2.gz GPIFUSHGILVCML-UHFFFAOYSA-N 1 0 370.453 1.920 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)CC1 ZINC000161106265 525035555 /nfs/dbraw/zinc/03/55/55/525035555.db2.gz YJIKXBPDKXKSCM-IRXDYDNUSA-N 1 0 351.491 1.395 20 70 FDIDRO CO[C@H]1CCN(C(=O)c2cccc(I)c2)[C@@H](C[NH3+])C1 ZINC000161104968 525036065 /nfs/dbraw/zinc/03/60/65/525036065.db2.gz HOTIWTWRICKVKW-OLZOCXBDSA-N 1 0 374.222 1.870 20 70 FDIDRO O=S(=O)(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccnc1 ZINC000161132357 525039730 /nfs/dbraw/zinc/03/97/30/525039730.db2.gz YCAMVPCVCYPZOL-UHFFFAOYSA-N 1 0 361.467 1.517 20 70 FDIDRO CCN(C(=O)NCC(=O)N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161142471 525041423 /nfs/dbraw/zinc/04/14/23/525041423.db2.gz XCXLXOGDOJVEHJ-GOSISDBHSA-N 1 0 374.485 1.151 20 70 FDIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C ZINC000161197303 525052554 /nfs/dbraw/zinc/05/25/54/525052554.db2.gz BMTYBZXNSCIDJB-UHFFFAOYSA-N 1 0 369.531 1.896 20 70 FDIDRO Cc1c(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)nnn1C1CC[NH2+]CC1 ZINC000161214615 525057125 /nfs/dbraw/zinc/05/71/25/525057125.db2.gz JLJIZROMQRKVBK-HOTGVXAUSA-N 1 0 357.462 1.621 20 70 FDIDRO O=C(CN1CCC([C@H](O)C(F)(F)F)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000161222311 525057489 /nfs/dbraw/zinc/05/74/89/525057489.db2.gz NIAYODZDHOQJTB-INIZCTEOSA-N 1 0 363.424 1.365 20 70 FDIDRO CC[N@H+](CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C)C(C)C ZINC000161259919 525065919 /nfs/dbraw/zinc/06/59/19/525065919.db2.gz NSTONWOQUTUKOD-UHFFFAOYSA-N 1 0 357.458 1.966 20 70 FDIDRO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000161252473 525066055 /nfs/dbraw/zinc/06/60/55/525066055.db2.gz JIDKDVNCRSGYFS-OAHLLOKOSA-N 1 0 355.442 1.638 20 70 FDIDRO Cc1c(Cl)cccc1S(=O)(=O)N(CCOCCO)CC[NH+](C)C ZINC000161303319 525076060 /nfs/dbraw/zinc/07/60/60/525076060.db2.gz IFCBPWASBZRPLL-UHFFFAOYSA-N 1 0 364.895 1.210 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 ZINC000161386003 525098106 /nfs/dbraw/zinc/09/81/06/525098106.db2.gz NDBREDHJXZYKIH-RYUDHWBXSA-N 1 0 363.487 1.272 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1CC ZINC000159783768 173688279 /nfs/dbraw/zinc/68/82/79/173688279.db2.gz UYWIGSYUVPYCHE-AWEZNQCLSA-N 1 0 363.506 1.672 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000160190519 173701908 /nfs/dbraw/zinc/70/19/08/173701908.db2.gz FBYCFHNJICWPFY-CEXWTWQISA-N 1 0 372.465 1.652 20 70 FDIDRO CC(=O)NCc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160531172 173714400 /nfs/dbraw/zinc/71/44/00/173714400.db2.gz SKAFQTWPJZCFAG-PMACEKPBSA-N 1 0 373.497 1.820 20 70 FDIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000159376303 524655490 /nfs/dbraw/zinc/65/54/90/524655490.db2.gz FLZCRFWQWQXUIT-INIZCTEOSA-N 1 0 355.442 1.651 20 70 FDIDRO COc1ccc(C(=O)N[C@@H](C(=O)N2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000159422145 524665203 /nfs/dbraw/zinc/66/52/03/524665203.db2.gz XAVZOROULVKBCG-GOSISDBHSA-N 1 0 353.422 1.598 20 70 FDIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)CN1CCOCC1 ZINC000159458318 524674352 /nfs/dbraw/zinc/67/43/52/524674352.db2.gz MRYSBZCSHRQYLA-QZTJIDSGSA-N 1 0 354.539 1.909 20 70 FDIDRO CC(=O)N[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1c(F)cccc1F ZINC000159460111 524675287 /nfs/dbraw/zinc/67/52/87/524675287.db2.gz FGIFOGDGDSSQAB-DVOMOZLQSA-N 1 0 351.397 1.885 20 70 FDIDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)CC(C)(CO)CO ZINC000159516681 524689627 /nfs/dbraw/zinc/68/96/27/524689627.db2.gz GHDKQMREITWXNJ-UHFFFAOYSA-N 1 0 374.485 1.740 20 70 FDIDRO C[NH+](C)CCOc1cc(CNC(=O)c2cnc(C(F)(F)F)nc2)ccn1 ZINC000159553188 524694392 /nfs/dbraw/zinc/69/43/92/524694392.db2.gz ZRKLEPKVJXKPAE-UHFFFAOYSA-N 1 0 369.347 1.761 20 70 FDIDRO O=C(CNC(=O)c1ccsc1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000159567030 524697188 /nfs/dbraw/zinc/69/71/88/524697188.db2.gz HQIZTHQYBDQRBO-INIZCTEOSA-N 1 0 365.499 1.581 20 70 FDIDRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@H](O)c1ccsc1 ZINC000159580550 524702600 /nfs/dbraw/zinc/70/26/00/524702600.db2.gz BHEVOAQRSKOIBD-INIZCTEOSA-N 1 0 360.483 1.505 20 70 FDIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000159593877 524703257 /nfs/dbraw/zinc/70/32/57/524703257.db2.gz JKCRYLLZCSCZIT-QGZVFWFLSA-N 1 0 364.465 1.927 20 70 FDIDRO C[N@@H+](CC(=O)NCC1(N2CCOCC2)CCCCC1)C[C@H]1CCC[C@@H]1O ZINC000159619695 524711619 /nfs/dbraw/zinc/71/16/19/524711619.db2.gz WXVMZEBMEVCCBC-MSOLQXFVSA-N 1 0 367.534 1.231 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)CC1 ZINC000159644324 524713180 /nfs/dbraw/zinc/71/31/80/524713180.db2.gz FOJBOHLUWZNLAC-IBGZPJMESA-N 1 0 373.545 1.934 20 70 FDIDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cnc3c(c2)ncn3C)[C@H](C)C1 ZINC000159853387 524753897 /nfs/dbraw/zinc/75/38/97/524753897.db2.gz WODBLNNBRDDFMC-ZBFHGGJFSA-N 1 0 359.474 1.835 20 70 FDIDRO C[NH+]1CCN(c2cc(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)ccn2)CC1 ZINC000159866910 524754623 /nfs/dbraw/zinc/75/46/23/524754623.db2.gz JBCOKNCYJQAFGX-PKOBYXMFSA-N 1 0 352.438 1.222 20 70 FDIDRO COCCCOC1CN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000160030882 524791214 /nfs/dbraw/zinc/79/12/14/524791214.db2.gz XLOJKEWDHSIDIX-LPHOPBHVSA-N 1 0 361.486 1.954 20 70 FDIDRO [NH3+]CCCNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000160023097 524791406 /nfs/dbraw/zinc/79/14/06/524791406.db2.gz ILPYEIAUFWRMDL-UHFFFAOYSA-N 1 0 373.478 1.512 20 70 FDIDRO COCCCS(=O)(=O)N1CCN(Cc2ccccc2N(C)C)CC1 ZINC000160030588 524792775 /nfs/dbraw/zinc/79/27/75/524792775.db2.gz MKOMRPOOJGBGNX-UHFFFAOYSA-N 1 0 355.504 1.237 20 70 FDIDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCn4ccnc4C3)cn2)CC1 ZINC000160065853 524800069 /nfs/dbraw/zinc/80/00/69/524800069.db2.gz FTMKTNVTUIDVKK-KRWDZBQOSA-N 1 0 368.485 1.299 20 70 FDIDRO CC[NH+]1CCN(CCNC(=O)CCN2c3ccccc3CCC2=O)CC1 ZINC000160080730 524802821 /nfs/dbraw/zinc/80/28/21/524802821.db2.gz OSTZCHZPFBXCLZ-UHFFFAOYSA-N 1 0 358.486 1.110 20 70 FDIDRO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160098209 524806604 /nfs/dbraw/zinc/80/66/04/524806604.db2.gz UDTJBWJDSQTMQS-IBGZPJMESA-N 1 0 370.497 1.995 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000160117347 524811679 /nfs/dbraw/zinc/81/16/79/524811679.db2.gz ZLIWSMIESHHKSH-IAGOWNOFSA-N 1 0 351.491 1.131 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000160112205 524811947 /nfs/dbraw/zinc/81/19/47/524811947.db2.gz KOSWTRBIQVBOPC-FQEVSTJZSA-N 1 0 368.477 1.886 20 70 FDIDRO C[NH+](C)C[C@@H](O)COc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 ZINC000160114262 524812637 /nfs/dbraw/zinc/81/26/37/524812637.db2.gz RNTZAAGIWXIRHR-OAHLLOKOSA-N 1 0 368.430 1.928 20 70 FDIDRO CC[N@H+](C)CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000160145670 524818117 /nfs/dbraw/zinc/81/81/17/524818117.db2.gz JSZMYXYKLVQJEV-UHFFFAOYSA-N 1 0 352.232 1.972 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(-n2cccn2)ccn1 ZINC000160171437 524824539 /nfs/dbraw/zinc/82/45/39/524824539.db2.gz BWIIVEGXJWYKFN-RBUKOAKNSA-N 1 0 369.469 1.765 20 70 FDIDRO CNC(=O)[C@@H]1CCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000160188685 524826847 /nfs/dbraw/zinc/82/68/47/524826847.db2.gz VOMANLDZXAQFMG-YOEHRIQHSA-N 1 0 359.474 1.527 20 70 FDIDRO CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000160205808 524831207 /nfs/dbraw/zinc/83/12/07/524831207.db2.gz RHNOUSJESJZHGG-ZACQAIPSSA-N 1 0 350.507 1.807 20 70 FDIDRO COCCOc1cccc(CC(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000160219077 524833159 /nfs/dbraw/zinc/83/31/59/524833159.db2.gz UEUJXIHDBWZTRA-UHFFFAOYSA-N 1 0 350.459 1.217 20 70 FDIDRO CC1CCC(N2C[C@H](C(=O)NC[C@@H](O)C[NH+]3CCCCC3)CC2=O)CC1 ZINC000160214796 524833920 /nfs/dbraw/zinc/83/39/20/524833920.db2.gz FKTJHCODPCDEQS-GPQLOAJWSA-N 1 0 365.518 1.377 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)nc(N2CCCC2)c1 ZINC000160231411 524837058 /nfs/dbraw/zinc/83/70/58/524837058.db2.gz BUAOQIKCUHNNCK-HNNXBMFYSA-N 1 0 366.893 1.912 20 70 FDIDRO [NH3+][C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)C1 ZINC000160254372 524841109 /nfs/dbraw/zinc/84/11/09/524841109.db2.gz RLXWVSPDDHQOIC-GFCCVEGCSA-N 1 0 371.528 1.922 20 70 FDIDRO COc1ccccc1N1C(=O)C[C@@H]([N@H+](C)CCCn2ccnc2C)C1=O ZINC000160265282 524843834 /nfs/dbraw/zinc/84/38/34/524843834.db2.gz FSLAEFFLJDYAHZ-MRXNPFEDSA-N 1 0 356.426 1.854 20 70 FDIDRO COCCc1noc(CN(C)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000160287102 524850029 /nfs/dbraw/zinc/85/00/29/524850029.db2.gz TWENXLRZXSHEQF-GJZGRUSLSA-N 1 0 367.494 1.768 20 70 FDIDRO Cn1cc(N2CC[C@H](NC(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000160296346 524851845 /nfs/dbraw/zinc/85/18/45/524851845.db2.gz YTQLWTGFJDEQOZ-WBVHZDCISA-N 1 0 374.489 1.185 20 70 FDIDRO CN1C(=O)C[C@@H](C(=O)NCC2([NH+](C)C)CCOCC2)[C@H]1c1cccs1 ZINC000160334915 524861284 /nfs/dbraw/zinc/86/12/84/524861284.db2.gz JKKXWUCTPKMCLW-CJNGLKHVSA-N 1 0 365.499 1.495 20 70 FDIDRO CN(CC1CCOCC1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000160347540 524864543 /nfs/dbraw/zinc/86/45/43/524864543.db2.gz PAKYSCGTJYJYBF-UHFFFAOYSA-N 1 0 350.463 1.590 20 70 FDIDRO CCC1CCC2(CC1)NC(=O)N(CC(=O)NCC([NH3+])(CC)CC)C2=O ZINC000160455054 524894169 /nfs/dbraw/zinc/89/41/69/524894169.db2.gz FLUAEWLXUWAWHA-UHFFFAOYSA-N 1 0 352.479 1.511 20 70 FDIDRO Cc1nn(C)c(Cl)c1C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160469813 524896052 /nfs/dbraw/zinc/89/60/52/524896052.db2.gz QQKGEXDOSBXLFQ-HUUCEWRRSA-N 1 0 362.861 1.747 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cn(Cc2cccc(F)c2)nn1 ZINC000160484217 524899902 /nfs/dbraw/zinc/89/99/02/524899902.db2.gz DEDYEJDBCHUNPR-INIZCTEOSA-N 1 0 361.421 1.042 20 70 FDIDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160513295 524906641 /nfs/dbraw/zinc/90/66/41/524906641.db2.gz NYMCKXYHOLGPKC-BBWFWOEESA-N 1 0 368.522 1.170 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)C1 ZINC000160563695 524917066 /nfs/dbraw/zinc/91/70/66/524917066.db2.gz HPJJNDLDTUCDQI-HIFRSBDPSA-N 1 0 365.861 1.774 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000160573600 524919450 /nfs/dbraw/zinc/91/94/50/524919450.db2.gz UOAJAOORKXWGFC-CQSZACIVSA-N 1 0 354.472 1.460 20 70 FDIDRO CCS(=O)(=O)NCc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160620044 524932249 /nfs/dbraw/zinc/93/22/49/524932249.db2.gz LSLVZCWYWQLPLO-IYBDPMFKSA-N 1 0 351.472 1.092 20 70 FDIDRO CC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000160617664 524932488 /nfs/dbraw/zinc/93/24/88/524932488.db2.gz FGRRFUHIANJPAA-QGZVFWFLSA-N 1 0 365.474 1.828 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(CN2CCCC2=O)c1 ZINC000160627849 524933965 /nfs/dbraw/zinc/93/39/65/524933965.db2.gz SYHMUAMYDXOPLF-SFHVURJKSA-N 1 0 359.470 1.386 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)C1 ZINC000160634492 524934641 /nfs/dbraw/zinc/93/46/41/524934641.db2.gz SIVDHLDQLMMMFJ-INIZCTEOSA-N 1 0 365.499 1.650 20 70 FDIDRO CN1CCO[C@@H]2CN(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)C[C@@H]21 ZINC000160651404 524938207 /nfs/dbraw/zinc/93/82/07/524938207.db2.gz CTGHUQNEVBGBCP-QLFBSQMISA-N 1 0 351.834 1.888 20 70 FDIDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C2(NC(N)=O)CC2)C1 ZINC000160765284 524966288 /nfs/dbraw/zinc/96/62/88/524966288.db2.gz JDXCCABAVDSKMO-GJZGRUSLSA-N 1 0 358.486 1.982 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)C1 ZINC000160806152 524975824 /nfs/dbraw/zinc/97/58/24/524975824.db2.gz IXPRSWGKDWITRQ-SFHVURJKSA-N 1 0 358.486 1.771 20 70 FDIDRO C[NH+]1CCN(c2cc(CNC(=O)N3CCOC4(CCCC4)C3)ccn2)CC1 ZINC000160815586 524977557 /nfs/dbraw/zinc/97/75/57/524977557.db2.gz AUEYRXHVCJQTNQ-UHFFFAOYSA-N 1 0 373.501 1.688 20 70 FDIDRO Cn1cc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)c(C(F)(F)F)n1 ZINC000160825150 524978687 /nfs/dbraw/zinc/97/86/87/524978687.db2.gz SQPDLDULPPIHQL-UHFFFAOYSA-N 1 0 363.384 1.037 20 70 FDIDRO Cc1ccc(NC(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)cn1 ZINC000160825713 524980345 /nfs/dbraw/zinc/98/03/45/524980345.db2.gz GOUOSMCRQADLDY-UHFFFAOYSA-N 1 0 356.426 1.585 20 70 FDIDRO C[NH+]1CCC(Nc2ccccc2NC(=O)CNC(=O)c2cccnc2)CC1 ZINC000160872126 524988139 /nfs/dbraw/zinc/98/81/39/524988139.db2.gz JTAPXKPLNALCBX-UHFFFAOYSA-N 1 0 367.453 1.956 20 70 FDIDRO C[C@@H](NC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)C(C)(C)C[NH+](C)C ZINC000160922920 524995970 /nfs/dbraw/zinc/99/59/70/524995970.db2.gz GBPBPUZATWARMT-CHWSQXEVSA-N 1 0 371.507 1.341 20 70 FDIDRO COc1ncccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000161038205 525022388 /nfs/dbraw/zinc/02/23/88/525022388.db2.gz JMWBTRBVMATKCI-KRWDZBQOSA-N 1 0 370.453 1.109 20 70 FDIDRO Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c(C)n1 ZINC000161049959 525022935 /nfs/dbraw/zinc/02/29/35/525022935.db2.gz KXSZCLOBLPIGCJ-IBGZPJMESA-N 1 0 368.481 1.717 20 70 FDIDRO Cc1nc(C)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)o1 ZINC000161039873 525023384 /nfs/dbraw/zinc/02/33/84/525023384.db2.gz UNMHJFLKADLIPQ-INIZCTEOSA-N 1 0 358.442 1.310 20 70 FDIDRO C[NH+](C)Cc1ccccc1CNC(=O)CCCNC(=O)c1cccnc1 ZINC000161073203 525028885 /nfs/dbraw/zinc/02/88/85/525028885.db2.gz YMVBCUZEQFXKLS-UHFFFAOYSA-N 1 0 354.454 1.970 20 70 FDIDRO O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000161172103 525048571 /nfs/dbraw/zinc/04/85/71/525048571.db2.gz GKNAPRQUDPQMTF-KRWDZBQOSA-N 1 0 365.499 1.239 20 70 FDIDRO COc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1N1CCNC1=O ZINC000161203714 525054874 /nfs/dbraw/zinc/05/48/74/525054874.db2.gz HJPRFOPKMHEECD-ZFWWWQNUSA-N 1 0 360.458 1.683 20 70 FDIDRO CNC(=O)[C@H]1CCCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000161219683 525058877 /nfs/dbraw/zinc/05/88/77/525058877.db2.gz XLGQNLJHIMMBBC-WBVHZDCISA-N 1 0 373.501 1.775 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000161218110 525059080 /nfs/dbraw/zinc/05/90/80/525059080.db2.gz CNFTYPDBMJVUKQ-MRXNPFEDSA-N 1 0 367.515 1.491 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000161223442 525059272 /nfs/dbraw/zinc/05/92/72/525059272.db2.gz NPKXMVLVZFERAZ-OCCSQVGLSA-N 1 0 365.861 1.912 20 70 FDIDRO O=C([C@@H]1CN(CCC[NH+]2CCCCC2)c2ccccc2O1)N1CCOCC1 ZINC000161238288 525062441 /nfs/dbraw/zinc/06/24/41/525062441.db2.gz RTQBTTJPEMILKI-FQEVSTJZSA-N 1 0 373.497 1.989 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)cnn1-c1ccccc1F ZINC000161251966 525066524 /nfs/dbraw/zinc/06/65/24/525066524.db2.gz AHDSTKUXTRDUAX-CYBMUJFWSA-N 1 0 359.405 1.469 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000161269118 525071136 /nfs/dbraw/zinc/07/11/36/525071136.db2.gz DTBSHLLQYICMRV-WCQYABFASA-N 1 0 359.879 1.217 20 70 FDIDRO Cc1c(NC(=O)C(=O)NCC2CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000161296881 525073590 /nfs/dbraw/zinc/07/35/90/525073590.db2.gz ZXGDEQKSSYSUSU-UHFFFAOYSA-N 1 0 355.442 1.577 20 70 FDIDRO Cc1nn(C)c(=O)c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000161303181 525077206 /nfs/dbraw/zinc/07/72/06/525077206.db2.gz WEVSFUFTFUIWEZ-QGZVFWFLSA-N 1 0 354.454 1.964 20 70 FDIDRO C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCN(Cc2cccnc2)CC1 ZINC000161329570 525082946 /nfs/dbraw/zinc/08/29/46/525082946.db2.gz DJUWCYPQSGXTIW-MRXNPFEDSA-N 1 0 355.438 1.686 20 70 FDIDRO CC(C)[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)C(=O)OC(C)(C)C ZINC000161376587 525096106 /nfs/dbraw/zinc/09/61/06/525096106.db2.gz NMHDCWYCAHXDPA-AWEZNQCLSA-N 1 0 353.467 1.933 20 70 FDIDRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000161409259 525103144 /nfs/dbraw/zinc/10/31/44/525103144.db2.gz IHTIGARNTBXSFB-LBPRGKRZSA-N 1 0 351.472 1.844 20 70 FDIDRO COc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c(Cl)c1Cl ZINC000161417330 525105323 /nfs/dbraw/zinc/10/53/23/525105323.db2.gz CASGFUKZWLYVDY-CYBMUJFWSA-N 1 0 371.286 1.593 20 70 FDIDRO CCc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000161440233 525109024 /nfs/dbraw/zinc/10/90/24/525109024.db2.gz AWPOYKUZPWDDBQ-OAHLLOKOSA-N 1 0 354.516 1.962 20 70 FDIDRO Cc1cccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c1Br ZINC000161447252 525111045 /nfs/dbraw/zinc/11/10/45/525111045.db2.gz OOZDFXZPCAPQFA-CYBMUJFWSA-N 1 0 365.293 1.348 20 70 FDIDRO CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H]([NH+]3CCCC3)C1)CC2 ZINC000161450487 525111879 /nfs/dbraw/zinc/11/18/79/525111879.db2.gz YWJVMUZEVYNOQU-HOTGVXAUSA-N 1 0 360.506 1.986 20 70 FDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000161474231 525116069 /nfs/dbraw/zinc/11/60/69/525116069.db2.gz OYVRQGOAUNXGOE-LBPRGKRZSA-N 1 0 374.812 1.950 20 70 FDIDRO O=C(NCCN1CC[NH2+]CC1)Nc1ccccc1I ZINC000217272876 537454253 /nfs/dbraw/zinc/45/42/53/537454253.db2.gz BBPJTLYCFYKDDR-UHFFFAOYSA-N 1 0 374.226 1.318 20 70 FDIDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160278437 258263312 /nfs/dbraw/zinc/26/33/12/258263312.db2.gz XLLRMYSAKXXMMM-QRVBRYPASA-N 1 0 364.534 1.756 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000161425069 173740621 /nfs/dbraw/zinc/74/06/21/173740621.db2.gz RKVHKTOSSYIVJB-CYBMUJFWSA-N 1 0 355.287 1.725 20 70 FDIDRO O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159374012 524655328 /nfs/dbraw/zinc/65/53/28/524655328.db2.gz GXPBEGOFICKOGD-LJQANCHMSA-N 1 0 371.462 1.561 20 70 FDIDRO Cc1cc(S(N)(=O)=O)cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1C ZINC000159377633 524656121 /nfs/dbraw/zinc/65/61/21/524656121.db2.gz MVRVDSIRLHAJRZ-LBPRGKRZSA-N 1 0 353.488 1.413 20 70 FDIDRO Cc1cccc(CNC(=O)CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159391837 524660040 /nfs/dbraw/zinc/66/00/40/524660040.db2.gz HYPVLUGPQHVGIP-SFHVURJKSA-N 1 0 358.486 1.025 20 70 FDIDRO CC(=O)Nc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)ccc1C ZINC000159442796 524670357 /nfs/dbraw/zinc/67/03/57/524670357.db2.gz FNIIWSGRWIFLNA-MRXNPFEDSA-N 1 0 374.485 1.986 20 70 FDIDRO CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000159457207 524673805 /nfs/dbraw/zinc/67/38/05/524673805.db2.gz GHIXFRRDWVCKDH-OAHLLOKOSA-N 1 0 374.485 1.469 20 70 FDIDRO CCc1nn(C)c(CC)c1C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000159471537 524679239 /nfs/dbraw/zinc/67/92/39/524679239.db2.gz FZBNCYGPZKVQHT-AWEZNQCLSA-N 1 0 356.536 1.839 20 70 FDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1CC2(C1)NC(=O)NC2=O ZINC000159583878 524701258 /nfs/dbraw/zinc/70/12/58/524701258.db2.gz KVXNXNLWBRUQGU-PCVOSPCESA-N 1 0 370.453 1.098 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCCNC(=O)c2ccccc2Cl)CC1 ZINC000159587823 524702142 /nfs/dbraw/zinc/70/21/42/524702142.db2.gz OQLIRGDKAZFFJH-UHFFFAOYSA-N 1 0 352.866 1.807 20 70 FDIDRO Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1-n1cnnn1 ZINC000159604223 524705856 /nfs/dbraw/zinc/70/58/56/524705856.db2.gz GISKJJSLEIYRIV-WMLDXEAASA-N 1 0 355.446 1.919 20 70 FDIDRO COc1ccc([C@@H](C[NH2+]Cc2cn(C)nc2C)N2CCOCC2)cc1OC ZINC000159623628 524710204 /nfs/dbraw/zinc/71/02/04/524710204.db2.gz CDOANCBZDHNOIW-GOSISDBHSA-N 1 0 374.485 1.909 20 70 FDIDRO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159661494 524716442 /nfs/dbraw/zinc/71/64/42/524716442.db2.gz OCZDSHDMOVZYIM-RDJZCZTQSA-N 1 0 365.499 1.257 20 70 FDIDRO CCCCn1ncc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1C ZINC000159665785 524716851 /nfs/dbraw/zinc/71/68/51/524716851.db2.gz SHYXVCQUPHDVTB-OAHLLOKOSA-N 1 0 350.511 1.997 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000159847309 524750992 /nfs/dbraw/zinc/75/09/92/524750992.db2.gz XXPOIFPQMTXPKL-UHFFFAOYSA-N 1 0 372.469 1.800 20 70 FDIDRO O=C(Cc1cccc(Br)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159915172 524767272 /nfs/dbraw/zinc/76/72/72/524767272.db2.gz LLBRGSLBBBYYRS-OAHLLOKOSA-N 1 0 355.276 1.955 20 70 FDIDRO CC(C)N(C[C@H](C)O)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000160030728 524793224 /nfs/dbraw/zinc/79/32/24/524793224.db2.gz KFPOVLRZWDHKJJ-KRWDZBQOSA-N 1 0 362.518 1.735 20 70 FDIDRO CCOc1cccc2c1OC[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)C2 ZINC000160043549 524793699 /nfs/dbraw/zinc/79/36/99/524793699.db2.gz IRYJISLXQTWRPL-SJORKVTESA-N 1 0 362.470 1.599 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000160041111 524793739 /nfs/dbraw/zinc/79/37/39/524793739.db2.gz SLVXZBKJSDUCJO-KSZLIROESA-N 1 0 365.518 1.378 20 70 FDIDRO C[C@H]1CC(=O)CC[C@@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000160038307 524793970 /nfs/dbraw/zinc/79/39/70/524793970.db2.gz CRIQAGAQMKEIMR-PXNSSMCTSA-N 1 0 357.498 1.926 20 70 FDIDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3c([nH]c2=O)CCCCC3)CC1 ZINC000160074367 524803152 /nfs/dbraw/zinc/80/31/52/524803152.db2.gz GHDCSZLYWPFHCC-HNNXBMFYSA-N 1 0 360.502 1.400 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000160117221 524811750 /nfs/dbraw/zinc/81/17/50/524811750.db2.gz ZLIWSMIESHHKSH-IRXDYDNUSA-N 1 0 351.491 1.131 20 70 FDIDRO CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCS1(=O)=O)[NH+]1CCC(C)CC1 ZINC000160116041 524812145 /nfs/dbraw/zinc/81/21/45/524812145.db2.gz NBLIUSZXPQMGJA-JKSUJKDBSA-N 1 0 359.536 1.619 20 70 FDIDRO [NH3+]CCCNC(=O)CCCOc1ccc(I)cc1 ZINC000160145716 524818848 /nfs/dbraw/zinc/81/88/48/524818848.db2.gz SKQFQHIGPAYNPQ-UHFFFAOYSA-N 1 0 362.211 1.915 20 70 FDIDRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCCCC(=O)OC(C)C)C2)CC1 ZINC000160175997 524825036 /nfs/dbraw/zinc/82/50/36/524825036.db2.gz RZZVKPAGQXGNFU-INIZCTEOSA-N 1 0 354.495 1.140 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000160190657 524826425 /nfs/dbraw/zinc/82/64/25/524826425.db2.gz FBYCFHNJICWPFY-QYZOEREBSA-N 1 0 372.465 1.652 20 70 FDIDRO NC(=O)C[N@H+](CCC1CCCCC1)CCN1C(=O)NC2(CCCC2)C1=O ZINC000160209693 524830170 /nfs/dbraw/zinc/83/01/70/524830170.db2.gz OXSHYTONIOETSY-UHFFFAOYSA-N 1 0 364.490 1.609 20 70 FDIDRO CSC[C@@H](CCO)[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000160235123 524837526 /nfs/dbraw/zinc/83/75/26/524837526.db2.gz HORDKDHUQHDDNU-MRXNPFEDSA-N 1 0 372.556 1.852 20 70 FDIDRO C[C@](O)(CNC(=O)NCCCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000160261201 524842945 /nfs/dbraw/zinc/84/29/45/524842945.db2.gz KSKCGXOWDQUMPS-SFHVURJKSA-N 1 0 353.438 1.445 20 70 FDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000160267999 524845135 /nfs/dbraw/zinc/84/51/35/524845135.db2.gz BPLVRTFVOORDJR-MRXNPFEDSA-N 1 0 365.499 1.815 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CCC([NH+]3CCCC3)CC2)c1CC ZINC000160323650 524859045 /nfs/dbraw/zinc/85/90/45/524859045.db2.gz SZSKONKHEWDXCK-UHFFFAOYSA-N 1 0 361.490 1.665 20 70 FDIDRO CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160363752 524869611 /nfs/dbraw/zinc/86/96/11/524869611.db2.gz QNKVTPJECGRVOC-ROUUACIJSA-N 1 0 361.486 1.404 20 70 FDIDRO Cc1conc1NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000160381770 524874181 /nfs/dbraw/zinc/87/41/81/524874181.db2.gz CKVWOJAMKNPLSB-UHFFFAOYSA-N 1 0 360.389 1.841 20 70 FDIDRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000160447510 524891815 /nfs/dbraw/zinc/89/18/15/524891815.db2.gz UVFJUVNOWHXRLR-INIZCTEOSA-N 1 0 357.414 1.623 20 70 FDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)COc1ccccc1 ZINC000160475665 524898209 /nfs/dbraw/zinc/89/82/09/524898209.db2.gz CSINJGXILWBVCD-IAGOWNOFSA-N 1 0 361.486 1.807 20 70 FDIDRO CCN(CC)C(=O)CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160503675 524903750 /nfs/dbraw/zinc/90/37/50/524903750.db2.gz XAMYNTMXCYZYDH-IAGOWNOFSA-N 1 0 353.507 1.519 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)c2cccn3c(I)cnc23)C1 ZINC000160504868 524904992 /nfs/dbraw/zinc/90/49/92/524904992.db2.gz LMXRQRXZMLFAHY-VIFPVBQESA-N 1 0 370.194 1.373 20 70 FDIDRO Cc1cc(C)n(Cc2cccc(C(=O)NCC3CC[NH+](CCO)CC3)c2)n1 ZINC000160532401 524911092 /nfs/dbraw/zinc/91/10/92/524911092.db2.gz IEWAISDOMPBZOD-UHFFFAOYSA-N 1 0 370.497 1.982 20 70 FDIDRO C[NH+](C)Cc1ccc(C(=O)NCCN2CCN(c3ncccn3)CC2)cc1 ZINC000160563782 524917095 /nfs/dbraw/zinc/91/70/95/524917095.db2.gz RVUPXEXVBPSSKZ-UHFFFAOYSA-N 1 0 368.485 1.090 20 70 FDIDRO Cc1nn(C)c(C)c1OCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160582540 524921138 /nfs/dbraw/zinc/92/11/38/524921138.db2.gz GHMZEIFGXKLMCD-DLBZAZTESA-N 1 0 364.490 1.300 20 70 FDIDRO O=C(CNC(=O)CC1CCCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160585387 524923775 /nfs/dbraw/zinc/92/37/75/524923775.db2.gz SDKATIPYJQRFPM-QZTJIDSGSA-N 1 0 365.518 1.567 20 70 FDIDRO Cc1cc(C)n([C@H](C)C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000160595494 524924879 /nfs/dbraw/zinc/92/48/79/524924879.db2.gz XQUGFFDJEQUXCM-NEWSRXKRSA-N 1 0 356.470 1.813 20 70 FDIDRO Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160599859 524925285 /nfs/dbraw/zinc/92/52/85/524925285.db2.gz NKMPNNDYLVUJDD-MRXNPFEDSA-N 1 0 359.474 1.897 20 70 FDIDRO COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[NH+](C3CCCC3)CC1)CC2 ZINC000160624537 524930935 /nfs/dbraw/zinc/93/09/35/524930935.db2.gz FKUBZDSXRUARGL-AWEZNQCLSA-N 1 0 362.478 1.009 20 70 FDIDRO COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H]([NH+]3CCCC3)C1)CC2 ZINC000160675124 524944364 /nfs/dbraw/zinc/94/43/64/524944364.db2.gz XIBGWXYLEJYADY-HUUCEWRRSA-N 1 0 362.478 1.009 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000160679418 524946718 /nfs/dbraw/zinc/94/67/18/524946718.db2.gz DSBKNUAHTYIMGR-KRWDZBQOSA-N 1 0 369.469 1.926 20 70 FDIDRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)CC1 ZINC000160864728 524985412 /nfs/dbraw/zinc/98/54/12/524985412.db2.gz LATFFMUFNPWKEH-HZPDHXFCSA-N 1 0 369.469 1.602 20 70 FDIDRO CCN(C(=O)NCC(=O)N1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161142586 525041023 /nfs/dbraw/zinc/04/10/23/525041023.db2.gz XCXLXOGDOJVEHJ-SFHVURJKSA-N 1 0 374.485 1.151 20 70 FDIDRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1cn(-c2ccccc2)nn1 ZINC000161136210 525042416 /nfs/dbraw/zinc/04/24/16/525042416.db2.gz YOLOSMAAKFHMHQ-OAHLLOKOSA-N 1 0 372.473 1.738 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000161218226 525058921 /nfs/dbraw/zinc/05/89/21/525058921.db2.gz CNFTYPDBMJVUKQ-INIZCTEOSA-N 1 0 367.515 1.491 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1nnn(-c2cccc3cccnc32)c1C ZINC000161233036 525059958 /nfs/dbraw/zinc/05/99/58/525059958.db2.gz JHYABOLDGDBQLO-HNNXBMFYSA-N 1 0 350.426 1.948 20 70 FDIDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000161241147 525061578 /nfs/dbraw/zinc/06/15/78/525061578.db2.gz PXQRNUYMXMCVAT-OAHLLOKOSA-N 1 0 353.488 1.718 20 70 FDIDRO C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC[NH2+]C1 ZINC000161289621 525075157 /nfs/dbraw/zinc/07/51/57/525075157.db2.gz DCEAEQDPAWQINQ-RDTXWAMCSA-N 1 0 367.396 1.899 20 70 FDIDRO Cc1ccc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)cc1Cl ZINC000161303457 525075863 /nfs/dbraw/zinc/07/58/63/525075863.db2.gz KFTFNLQVYPZKBZ-UHFFFAOYSA-N 1 0 364.895 1.210 20 70 FDIDRO Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1S(=O)(=O)NC1CC1 ZINC000161341179 525084768 /nfs/dbraw/zinc/08/47/68/525084768.db2.gz AWBREUDIBZHKGK-KRWDZBQOSA-N 1 0 373.478 1.944 20 70 FDIDRO CC1CC[NH+](C2CCC(NC(=O)CC[C@@H]3NC(=O)NC3=O)CC2)CC1 ZINC000161497526 525119293 /nfs/dbraw/zinc/11/92/93/525119293.db2.gz SBBFAXOHAGMBFE-NRXISQOPSA-N 1 0 350.463 1.134 20 70 FDIDRO COc1ccc(O)c(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000218558548 537462969 /nfs/dbraw/zinc/46/29/69/537462969.db2.gz DBNFQZCNPSQRFA-UHFFFAOYSA-N 1 0 369.465 1.948 20 70 FDIDRO COC[C@H](C)S(=O)(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000161128794 258263612 /nfs/dbraw/zinc/26/36/12/258263612.db2.gz PUKGFADEFJYJMI-AWEZNQCLSA-N 1 0 356.488 1.098 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2-n2cccn2)C1 ZINC000159427512 173677162 /nfs/dbraw/zinc/67/71/62/173677162.db2.gz BNQRWAKTMUSXQK-INIZCTEOSA-N 1 0 369.469 1.905 20 70 FDIDRO CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000159519999 173681195 /nfs/dbraw/zinc/68/11/95/173681195.db2.gz VNLOLPWTMAGWKC-SFHVURJKSA-N 1 0 374.485 1.063 20 70 FDIDRO CN(C)S(=O)(=O)c1ccc(OCC[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159802259 173688645 /nfs/dbraw/zinc/68/86/45/173688645.db2.gz PZOLTAJRBREBOM-YOEHRIQHSA-N 1 0 356.488 1.409 20 70 FDIDRO [NH3+]Cc1ccc(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000159799607 173688754 /nfs/dbraw/zinc/68/87/54/173688754.db2.gz GVORDNZHWMEJPR-UHFFFAOYSA-N 1 0 351.406 1.952 20 70 FDIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000160131648 173699369 /nfs/dbraw/zinc/69/93/69/173699369.db2.gz FQOILHCDGPFSDI-UKRRQHHQSA-N 1 0 369.462 1.176 20 70 FDIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000160347473 173707980 /nfs/dbraw/zinc/70/79/80/173707980.db2.gz OWAJOBVBVYEEPH-DLBZAZTESA-N 1 0 359.470 1.644 20 70 FDIDRO COC[C@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000160909388 173725193 /nfs/dbraw/zinc/72/51/93/173725193.db2.gz NYKUGUSSKAHRGF-JQWIXIFHSA-N 1 0 365.211 1.655 20 70 FDIDRO CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CC[NH2+]CC2)cc1 ZINC000159374577 524656164 /nfs/dbraw/zinc/65/61/64/524656164.db2.gz KGCWZDFAISILKL-MRXNPFEDSA-N 1 0 361.511 1.931 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)C1 ZINC000159420684 524665736 /nfs/dbraw/zinc/66/57/36/524665736.db2.gz ONWKCJVWAVEQHL-ZDUSSCGKSA-N 1 0 358.442 1.214 20 70 FDIDRO Cc1cccn2c(C[N@@H+]3CCCC[C@@H]3CCNS(C)(=O)=O)cnc12 ZINC000159428656 524667976 /nfs/dbraw/zinc/66/79/76/524667976.db2.gz ZIHUYSPVBJDZDD-OAHLLOKOSA-N 1 0 350.488 1.937 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N(C)C)C1 ZINC000159444666 524672774 /nfs/dbraw/zinc/67/27/74/524672774.db2.gz ZDUSQPYVADNYCR-HNNXBMFYSA-N 1 0 374.485 1.421 20 70 FDIDRO Cc1cc(S(N)(=O)=O)cc(C(=O)N2CC[NH+](CC3CC3)CC2)c1C ZINC000159528802 524691205 /nfs/dbraw/zinc/69/12/05/524691205.db2.gz SRRVBWUUEBJTPW-UHFFFAOYSA-N 1 0 351.472 1.119 20 70 FDIDRO C[C@H](c1ccccc1)N1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000159628520 524709845 /nfs/dbraw/zinc/70/98/45/524709845.db2.gz NBARAURMJCUAFO-HOJAQTOUSA-N 1 0 359.514 1.985 20 70 FDIDRO COCc1cccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000159680116 524718256 /nfs/dbraw/zinc/71/82/56/524718256.db2.gz BUNVWZXGVUFJNW-QGZVFWFLSA-N 1 0 360.458 1.603 20 70 FDIDRO C[N@@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C[C@@H]1CCC[C@@H]1O ZINC000159681837 524721129 /nfs/dbraw/zinc/72/11/29/524721129.db2.gz YJTPCJDYVSWBKG-NHYWBVRUSA-N 1 0 355.385 1.112 20 70 FDIDRO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C[C@@H]1CCC[C@@H]1O ZINC000159729401 524729808 /nfs/dbraw/zinc/72/98/08/524729808.db2.gz WJZACNKFXAJKPV-NHYWBVRUSA-N 1 0 353.850 1.860 20 70 FDIDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cnn(C)c1 ZINC000159747070 524730581 /nfs/dbraw/zinc/73/05/81/524730581.db2.gz ZQYJAIZRESWTGQ-CQSZACIVSA-N 1 0 364.471 1.292 20 70 FDIDRO COC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C ZINC000159756792 524732654 /nfs/dbraw/zinc/73/26/54/524732654.db2.gz UUWSLSATICUNAZ-QGZVFWFLSA-N 1 0 356.488 1.468 20 70 FDIDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@H]3c4ccccc4C[C@@H]3O)c2)CC1 ZINC000159794639 524738694 /nfs/dbraw/zinc/73/86/94/524738694.db2.gz VNEPGPJPZNVEBD-SFTDATJTSA-N 1 0 365.477 1.822 20 70 FDIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000159812118 524742743 /nfs/dbraw/zinc/74/27/43/524742743.db2.gz PBDNSMXFOSYEAT-QGZVFWFLSA-N 1 0 373.497 1.952 20 70 FDIDRO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159847893 524751264 /nfs/dbraw/zinc/75/12/64/524751264.db2.gz AWNADBFIUQLLNI-IYBDPMFKSA-N 1 0 365.499 1.325 20 70 FDIDRO C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)N(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000159876806 524757029 /nfs/dbraw/zinc/75/70/29/524757029.db2.gz FNMRXPZYMQZNJJ-FUHWJXTLSA-N 1 0 373.501 1.658 20 70 FDIDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H]1CCCS1(=O)=O ZINC000159869979 524757357 /nfs/dbraw/zinc/75/73/57/524757357.db2.gz SENZCGLANIXVJY-KRWDZBQOSA-N 1 0 365.499 1.659 20 70 FDIDRO CCOCC[N@@H+]1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)C[C@H]1CC ZINC000159930787 524771511 /nfs/dbraw/zinc/77/15/11/524771511.db2.gz ISXXBVJVQFLDSM-HUUCEWRRSA-N 1 0 365.440 1.972 20 70 FDIDRO C[NH+](C)CCN1CCC(NC(=O)N2CCO[C@@H](c3ccsc3)C2)CC1 ZINC000160014233 524788480 /nfs/dbraw/zinc/78/84/80/524788480.db2.gz HIKYMURNASLWBS-QGZVFWFLSA-N 1 0 366.531 1.857 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000160020653 524789783 /nfs/dbraw/zinc/78/97/83/524789783.db2.gz IDRITZVLILQDAY-QGZVFWFLSA-N 1 0 356.426 1.018 20 70 FDIDRO COCCN(C)S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000160012491 524789868 /nfs/dbraw/zinc/78/98/68/524789868.db2.gz OONCQGYRSMLMSS-WMZOPIPTSA-N 1 0 369.531 1.794 20 70 FDIDRO CC(C)N(C[C@@H](C)O)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000160030603 524792425 /nfs/dbraw/zinc/79/24/25/524792425.db2.gz KFPOVLRZWDHKJJ-QGZVFWFLSA-N 1 0 362.518 1.735 20 70 FDIDRO Cc1nc(-c2ncccn2)sc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160023481 524792557 /nfs/dbraw/zinc/79/25/57/524792557.db2.gz OKIYDGHDHUVFGK-ZDUSSCGKSA-N 1 0 361.471 1.485 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[NH3+])CC2)c(C)c1 ZINC000160046719 524797352 /nfs/dbraw/zinc/79/73/52/524797352.db2.gz FPKOFIKOTMDRTP-UHFFFAOYSA-N 1 0 353.488 1.169 20 70 FDIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000160067252 524801541 /nfs/dbraw/zinc/80/15/41/524801541.db2.gz STGKRHTUZSPTBI-KBPBESRZSA-N 1 0 371.528 1.502 20 70 FDIDRO CN1CC[NH+](CCCCNC(=O)NCc2nc(C3CC3)cs2)CC1 ZINC000160069843 524801631 /nfs/dbraw/zinc/80/16/31/524801631.db2.gz HMVKXJHFIGWDMS-UHFFFAOYSA-N 1 0 351.520 1.847 20 70 FDIDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)C3(NC(N)=O)CC3)cc2)C[C@H](C)O1 ZINC000160118969 524812754 /nfs/dbraw/zinc/81/27/54/524812754.db2.gz ZDFPGBJIWALFNZ-KBPBESRZSA-N 1 0 360.458 1.113 20 70 FDIDRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C[NH3+])C3CCCCC3)ccc21 ZINC000160160245 524821358 /nfs/dbraw/zinc/82/13/58/524821358.db2.gz KQJQOUGETUVSLC-QGZVFWFLSA-N 1 0 365.499 1.782 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000160190913 524826529 /nfs/dbraw/zinc/82/65/29/524826529.db2.gz FBYCFHNJICWPFY-FHWLQOOXSA-N 1 0 372.465 1.652 20 70 FDIDRO O=C(/C=C/c1cnn(-c2ccccc2)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160195638 524829148 /nfs/dbraw/zinc/82/91/48/524829148.db2.gz RKZYNWVSRZLJFP-JBVUFVISSA-N 1 0 354.454 1.849 20 70 FDIDRO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccnn2Cc2ccccc2F)CCO1 ZINC000160246153 524839950 /nfs/dbraw/zinc/83/99/50/524839950.db2.gz CACNYSCMEKWPQH-HNNXBMFYSA-N 1 0 361.421 1.865 20 70 FDIDRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000160265179 524844243 /nfs/dbraw/zinc/84/42/43/524844243.db2.gz RIZFFIKONSUQGD-KBPBESRZSA-N 1 0 351.397 1.301 20 70 FDIDRO O=C(Cc1cn2ccsc2n1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160306504 524854477 /nfs/dbraw/zinc/85/44/77/524854477.db2.gz DWQAFMPTKRARQD-JKSUJKDBSA-N 1 0 362.499 1.822 20 70 FDIDRO CO[C@@]1(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCOC1 ZINC000160358077 524867550 /nfs/dbraw/zinc/86/75/50/524867550.db2.gz VOXOEYCTBMZIRN-UKRRQHHQSA-N 1 0 360.248 1.584 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1CC ZINC000160370069 524868420 /nfs/dbraw/zinc/86/84/20/524868420.db2.gz SJGOKACAEYHQMA-CQSZACIVSA-N 1 0 361.490 1.522 20 70 FDIDRO O=C(NCCCC[NH+]1CCOCC1)N1CCO[C@H](c2ccsc2)C1 ZINC000160391907 524875413 /nfs/dbraw/zinc/87/54/13/524875413.db2.gz AWFOJHZTVOPGFK-INIZCTEOSA-N 1 0 353.488 1.943 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000160416596 524882864 /nfs/dbraw/zinc/88/28/64/524882864.db2.gz FSALTFTWGBENQI-ZDUSSCGKSA-N 1 0 352.435 1.053 20 70 FDIDRO C[C@@H](Oc1cccc(CO)c1)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000160423842 524884826 /nfs/dbraw/zinc/88/48/26/524884826.db2.gz VNXVQEDTPQUDJZ-MRXNPFEDSA-N 1 0 363.502 1.336 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cn(-c2ccccc2)nn1 ZINC000160436064 524890459 /nfs/dbraw/zinc/89/04/59/524890459.db2.gz RTTAMLTZQKDQSW-RBUKOAKNSA-N 1 0 369.469 1.765 20 70 FDIDRO CC(C)C[C@@H](CNC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)[NH+](C)C ZINC000160452857 524894671 /nfs/dbraw/zinc/89/46/71/524894671.db2.gz NDYDUXALDJULMZ-KXBFYZLASA-N 1 0 360.458 1.447 20 70 FDIDRO COC(=O)Cn1cc(CC[N@H+](C)Cc2cc(Cl)ccc2OC)nn1 ZINC000160463029 524896202 /nfs/dbraw/zinc/89/62/02/524896202.db2.gz MIGFANIDCPCXOQ-UHFFFAOYSA-N 1 0 352.822 1.788 20 70 FDIDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CCO[C@H](C4CC4)C3)C2)CC1 ZINC000160544235 524912534 /nfs/dbraw/zinc/91/25/34/524912534.db2.gz GIOLWIPENOCEAZ-KSZLIROESA-N 1 0 350.507 1.365 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCO1 ZINC000160615991 524930083 /nfs/dbraw/zinc/93/00/83/524930083.db2.gz ATWARXIQMAIBFT-KRWDZBQOSA-N 1 0 361.490 1.544 20 70 FDIDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc(C(F)(F)F)nc3)C2)CC1 ZINC000160635986 524935355 /nfs/dbraw/zinc/93/53/55/524935355.db2.gz DJCUBPWCCWNLRP-CYBMUJFWSA-N 1 0 357.380 1.347 20 70 FDIDRO O=C(Cc1ccccc1)N1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000160667786 524943329 /nfs/dbraw/zinc/94/33/29/524943329.db2.gz AGMRYTSWOHNAES-GBESFXJTSA-N 1 0 355.482 1.821 20 70 FDIDRO O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160673395 524945442 /nfs/dbraw/zinc/94/54/42/524945442.db2.gz GSAAKTMOYKSTGO-SJORKVTESA-N 1 0 356.470 1.855 20 70 FDIDRO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cnn1Cc1ccccc1 ZINC000160692282 524949038 /nfs/dbraw/zinc/94/90/38/524949038.db2.gz BVODEWWJBLHLQH-SFHVURJKSA-N 1 0 356.470 1.816 20 70 FDIDRO O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCC1CC[NH+](CCO)CC1 ZINC000160694940 524951653 /nfs/dbraw/zinc/95/16/53/524951653.db2.gz WRFBHFOMHBSMNG-UHFFFAOYSA-N 1 0 368.861 1.474 20 70 FDIDRO CCC[C@H]1CN(C(=O)Nc2cccnc2-n2cncn2)CC[N@@H+]1CCOC ZINC000160729644 524958138 /nfs/dbraw/zinc/95/81/38/524958138.db2.gz NBEYRURFMPDNCG-HNNXBMFYSA-N 1 0 373.461 1.627 20 70 FDIDRO Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000160727599 524958265 /nfs/dbraw/zinc/95/82/65/524958265.db2.gz PKFSQADSNDCTAY-AWEZNQCLSA-N 1 0 364.413 1.766 20 70 FDIDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCn3ccnc3C2)cc1 ZINC000160756911 524964952 /nfs/dbraw/zinc/96/49/52/524964952.db2.gz OHETXBOFZFSUGY-CQSZACIVSA-N 1 0 355.442 1.974 20 70 FDIDRO COc1ccc(CCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(OC)c1 ZINC000160818770 524976759 /nfs/dbraw/zinc/97/67/59/524976759.db2.gz SAXDAZIZQMMHIS-KRWDZBQOSA-N 1 0 364.486 1.990 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)co1 ZINC000160852414 524983967 /nfs/dbraw/zinc/98/39/67/524983967.db2.gz DPIYBQVOUYLONX-CYBMUJFWSA-N 1 0 357.476 1.286 20 70 FDIDRO Cc1nc(CCNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)sc1C ZINC000160907139 524993795 /nfs/dbraw/zinc/99/37/95/524993795.db2.gz YNUVHUFAFFDONT-MRXNPFEDSA-N 1 0 367.563 1.874 20 70 FDIDRO CC(C)[NH+](CCS[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)C ZINC000160976969 525008936 /nfs/dbraw/zinc/00/89/36/525008936.db2.gz WDODWIQQBZBUBS-GFCCVEGCSA-N 1 0 370.519 1.089 20 70 FDIDRO CS(=O)(=O)NCCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160996226 525012364 /nfs/dbraw/zinc/01/23/64/525012364.db2.gz VCLZSIUUCCUWQZ-CHWSQXEVSA-N 1 0 352.378 1.362 20 70 FDIDRO NC(=O)CNC(=O)c1ccc(C[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000161004097 525014408 /nfs/dbraw/zinc/01/44/08/525014408.db2.gz FHSPQIOBGBQCAS-QGZVFWFLSA-N 1 0 353.422 1.905 20 70 FDIDRO O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1=O)[C@H]1CCC[NH2+]C1 ZINC000161013009 525016131 /nfs/dbraw/zinc/01/61/31/525016131.db2.gz PNXMAFVXIUNNRA-RYUDHWBXSA-N 1 0 353.369 1.509 20 70 FDIDRO COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000161095418 525033606 /nfs/dbraw/zinc/03/36/06/525033606.db2.gz DGORBCDWVMBMSS-AWEZNQCLSA-N 1 0 365.478 1.888 20 70 FDIDRO CO[C@H]1CCN(C(=O)c2cccc(I)c2)[C@H](C[NH3+])C1 ZINC000161104726 525035792 /nfs/dbraw/zinc/03/57/92/525035792.db2.gz HOTIWTWRICKVKW-STQMWFEESA-N 1 0 374.222 1.870 20 70 FDIDRO Cn1cc(C(N)=O)cc1C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000161369635 525090195 /nfs/dbraw/zinc/09/01/95/525090195.db2.gz JNGUMBATEDWJRF-UHFFFAOYSA-N 1 0 360.845 1.735 20 70 FDIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(OC)c2)cc1 ZINC000161366555 525090232 /nfs/dbraw/zinc/09/02/32/525090232.db2.gz DNMPJCPXPLZFRH-SCLBCKFNSA-N 1 0 364.467 1.988 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 ZINC000161385875 525098027 /nfs/dbraw/zinc/09/80/27/525098027.db2.gz NDBREDHJXZYKIH-VXGBXAGGSA-N 1 0 363.487 1.272 20 70 FDIDRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161405002 525100536 /nfs/dbraw/zinc/10/05/36/525100536.db2.gz SDRQHUVMJPOVDB-LSDHHAIUSA-N 1 0 353.488 1.249 20 70 FDIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccc(F)c(F)c1F ZINC000161410088 525102761 /nfs/dbraw/zinc/10/27/61/525102761.db2.gz JYPPXTUKWCNGJM-UHFFFAOYSA-N 1 0 352.378 1.087 20 70 FDIDRO Cc1ccc(F)cc1S(=O)(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000161444411 525110007 /nfs/dbraw/zinc/11/00/07/525110007.db2.gz QUFYMJITLHPVHK-AWEZNQCLSA-N 1 0 358.479 1.847 20 70 FDIDRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000161486239 525117855 /nfs/dbraw/zinc/11/78/55/525117855.db2.gz DTRNNUDOBITFMX-UHFFFAOYSA-N 1 0 370.453 1.551 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000159978207 173694167 /nfs/dbraw/zinc/69/41/67/173694167.db2.gz WALGFKVKCIXKNX-CABCVRRESA-N 1 0 363.433 1.142 20 70 FDIDRO Cc1ccccc1CN(C)C(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159377851 524655515 /nfs/dbraw/zinc/65/55/15/524655515.db2.gz XQBNXVJDSLODLJ-LJQANCHMSA-N 1 0 372.513 1.368 20 70 FDIDRO CC[C@@H]1CCCCN1C(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159386663 524658843 /nfs/dbraw/zinc/65/88/43/524658843.db2.gz AYVRJMLASSQHMY-NVXWUHKLSA-N 1 0 350.507 1.192 20 70 FDIDRO Cc1ccc(C)c(NC(=O)CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159399022 524662748 /nfs/dbraw/zinc/66/27/48/524662748.db2.gz RDSPGGLHEDWNJO-GOSISDBHSA-N 1 0 358.486 1.656 20 70 FDIDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cccc3[nH]cnc32)cc1 ZINC000159431763 524668227 /nfs/dbraw/zinc/66/82/27/524668227.db2.gz MZCBHXSYOZCSEH-UHFFFAOYSA-N 1 0 365.437 1.784 20 70 FDIDRO COCC[NH+]1[C@@H](C)CN(C(=O)Nc2cccc(-n3nnnc3C)c2)C[C@@H]1C ZINC000159470227 524679713 /nfs/dbraw/zinc/67/97/13/524679713.db2.gz MOOJEAPLTLNEJN-KBPBESRZSA-N 1 0 373.461 1.544 20 70 FDIDRO CCC(CC)[C@@H](CNC(=O)NCc1cnn(C)c1C)[NH+]1CCOCC1 ZINC000159502674 524685005 /nfs/dbraw/zinc/68/50/05/524685005.db2.gz OKNLRDRTBXVDPY-QGZVFWFLSA-N 1 0 351.495 1.665 20 70 FDIDRO COc1cc([C@H](C)[NH2+]CCCN2CCCC2=O)ccc1S(C)(=O)=O ZINC000159518645 524689376 /nfs/dbraw/zinc/68/93/76/524689376.db2.gz IRCKDVPOIHWYHI-ZDUSSCGKSA-N 1 0 354.472 1.762 20 70 FDIDRO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)Cc2cnc3ccccn23)C1 ZINC000159546586 524692818 /nfs/dbraw/zinc/69/28/18/524692818.db2.gz QGTFHIIGDQBIPN-OAHLLOKOSA-N 1 0 358.442 1.568 20 70 FDIDRO Cc1ccccc1CN1CCN(C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)CC1 ZINC000159562557 524697221 /nfs/dbraw/zinc/69/72/21/524697221.db2.gz ISWIEOHNJUDLFV-UXHICEINSA-N 1 0 359.514 1.732 20 70 FDIDRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000159639345 524713227 /nfs/dbraw/zinc/71/32/27/524713227.db2.gz JZUNDBIEKYKMEW-UHFFFAOYSA-N 1 0 373.501 1.850 20 70 FDIDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159781895 524737145 /nfs/dbraw/zinc/73/71/45/524737145.db2.gz DMJHDNLDFJQXAZ-UHFFFAOYSA-N 1 0 350.463 1.539 20 70 FDIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000159811831 524743228 /nfs/dbraw/zinc/74/32/28/524743228.db2.gz BXWUTLZZDJLHOH-SJORKVTESA-N 1 0 361.486 1.807 20 70 FDIDRO O=C(CCS(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)OCc1ccccc1 ZINC000159862934 524754833 /nfs/dbraw/zinc/75/48/33/524754833.db2.gz KMZARDZMWPDRTJ-INIZCTEOSA-N 1 0 366.483 1.524 20 70 FDIDRO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](CCc2nccs2)C(C)C)C1 ZINC000159926290 524768608 /nfs/dbraw/zinc/76/86/08/524768608.db2.gz SKEFNJJDWZJMTP-OAHLLOKOSA-N 1 0 352.504 1.523 20 70 FDIDRO CCOCC[N@@H+]1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)C[C@@H]1CC ZINC000159930928 524770782 /nfs/dbraw/zinc/77/07/82/524770782.db2.gz ISXXBVJVQFLDSM-LSDHHAIUSA-N 1 0 365.440 1.972 20 70 FDIDRO O=C(c1ccc(F)cc1F)N1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000159947705 524772902 /nfs/dbraw/zinc/77/29/02/524772902.db2.gz DPVNVPRYZFQTQS-CYBMUJFWSA-N 1 0 351.397 1.639 20 70 FDIDRO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000159945698 524772983 /nfs/dbraw/zinc/77/29/83/524772983.db2.gz IGVATVCXVZLANH-WBAXXEDZSA-N 1 0 359.470 1.858 20 70 FDIDRO CCO[C@H](C)c1nc(CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cs1 ZINC000159961054 524778052 /nfs/dbraw/zinc/77/80/52/524778052.db2.gz WCIDDAHBKDOIGP-UKRRQHHQSA-N 1 0 355.504 1.746 20 70 FDIDRO COCCC1(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CC1 ZINC000159982987 524782652 /nfs/dbraw/zinc/78/26/52/524782652.db2.gz GTJZHCJHTGOOBT-UHFFFAOYSA-N 1 0 367.534 1.746 20 70 FDIDRO CC(C)([NH3+])CNC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc21 ZINC000159990944 524785267 /nfs/dbraw/zinc/78/52/67/524785267.db2.gz WNLPCVNQYGQGIK-UHFFFAOYSA-N 1 0 366.487 1.139 20 70 FDIDRO COCCN1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160041587 524793472 /nfs/dbraw/zinc/79/34/72/524793472.db2.gz ITSKOWQQAWYBML-PKOBYXMFSA-N 1 0 360.502 1.623 20 70 FDIDRO C[C@@H]1CC(=O)CC[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000160038413 524794308 /nfs/dbraw/zinc/79/43/08/524794308.db2.gz CRIQAGAQMKEIMR-YLJYHZDGSA-N 1 0 357.498 1.926 20 70 FDIDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)Nc1ccc(F)nc1 ZINC000160045959 524797551 /nfs/dbraw/zinc/79/75/51/524797551.db2.gz LAFBTNDEDOIXPS-INIZCTEOSA-N 1 0 356.401 1.940 20 70 FDIDRO CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H]([NH+]3CCCC3)CC1)CC2 ZINC000160060508 524798130 /nfs/dbraw/zinc/79/81/30/524798130.db2.gz PVZZFHJBURXUPT-HZPDHXFCSA-N 1 0 360.506 1.815 20 70 FDIDRO CC[NH+]1CCN(CCNC(=O)CSc2ccc(C(C)=O)c(F)c2)CC1 ZINC000160081873 524804453 /nfs/dbraw/zinc/80/44/53/524804453.db2.gz IFIYGOWYRYFYBC-UHFFFAOYSA-N 1 0 367.490 1.874 20 70 FDIDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000160102029 524810299 /nfs/dbraw/zinc/81/02/99/524810299.db2.gz RRJIUBLMRCPADE-UHFFFAOYSA-N 1 0 374.529 1.742 20 70 FDIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160136068 524817054 /nfs/dbraw/zinc/81/70/54/524817054.db2.gz IZIDPXGFZBAJNR-GOSISDBHSA-N 1 0 361.490 1.020 20 70 FDIDRO COCC(=O)N1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160141267 524817734 /nfs/dbraw/zinc/81/77/34/524817734.db2.gz DQJDSKMOMQFBLA-WMZOPIPTSA-N 1 0 374.485 1.150 20 70 FDIDRO COCC(=O)N1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160141130 524819213 /nfs/dbraw/zinc/81/92/13/524819213.db2.gz DQJDSKMOMQFBLA-AEFFLSMTSA-N 1 0 374.485 1.150 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc2c1OCCO2 ZINC000160158557 524820052 /nfs/dbraw/zinc/82/00/52/524820052.db2.gz RDEMAZCMLNHUHT-IAGOWNOFSA-N 1 0 360.454 1.956 20 70 FDIDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)nc2)[C@H](C)C1 ZINC000160185984 524826100 /nfs/dbraw/zinc/82/61/00/524826100.db2.gz KGWJLZHEKTZHFC-UKRRQHHQSA-N 1 0 366.437 1.412 20 70 FDIDRO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160195349 524828431 /nfs/dbraw/zinc/82/84/31/524828431.db2.gz FXHIWEVGRRSZQA-UYAOXDASSA-N 1 0 373.497 1.485 20 70 FDIDRO C[NH+](C)[C@H](CNC(=O)CN1CCCC[C@@H]1c1nc[nH]n1)c1ccccc1 ZINC000160219850 524834893 /nfs/dbraw/zinc/83/48/93/524834893.db2.gz UHWKXEBRCHWZOM-IAGOWNOFSA-N 1 0 356.474 1.751 20 70 FDIDRO CC(C)NC(=O)Nc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160245719 524838937 /nfs/dbraw/zinc/83/89/37/524838937.db2.gz ZSHFEWHOPQDEKX-KRWDZBQOSA-N 1 0 362.474 1.793 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000160248845 524841532 /nfs/dbraw/zinc/84/15/32/524841532.db2.gz VLLUSKDKPPWHBJ-GFCCVEGCSA-N 1 0 364.446 1.196 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000160295945 524851339 /nfs/dbraw/zinc/85/13/39/524851339.db2.gz FXSJWCXNZJKEIV-CVEARBPZSA-N 1 0 363.458 1.237 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000160330234 524858517 /nfs/dbraw/zinc/85/85/17/524858517.db2.gz DOEAOQJIMMDNTJ-HOCLYGCPSA-N 1 0 352.862 1.854 20 70 FDIDRO NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)O1 ZINC000160342995 524863430 /nfs/dbraw/zinc/86/34/30/524863430.db2.gz FRJHEUNARSNNGZ-SJORKVTESA-N 1 0 366.506 1.317 20 70 FDIDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000160348622 524864173 /nfs/dbraw/zinc/86/41/73/524864173.db2.gz TXBZETBUAXDVPE-KBPBESRZSA-N 1 0 371.528 1.359 20 70 FDIDRO C[C@@H]1CC(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@@H](C)O1 ZINC000160347375 524865305 /nfs/dbraw/zinc/86/53/05/524865305.db2.gz FDVXIDHMGOXDOA-ZIAGYGMSSA-N 1 0 350.463 1.777 20 70 FDIDRO CCOC(=O)C[C@H](C)NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000160356076 524867241 /nfs/dbraw/zinc/86/72/41/524867241.db2.gz ZROGKCMCMCBLPD-KRWDZBQOSA-N 1 0 361.486 1.965 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)co1 ZINC000160363138 524870101 /nfs/dbraw/zinc/87/01/01/524870101.db2.gz JXYUBDSPCABTGH-OAHLLOKOSA-N 1 0 365.455 1.090 20 70 FDIDRO CCS(=O)(=O)NCc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000160365789 524870131 /nfs/dbraw/zinc/87/01/31/524870131.db2.gz UJEOECPIYJZVSH-HNNXBMFYSA-N 1 0 367.515 1.730 20 70 FDIDRO O=C(C[NH2+]C[C@H]1CCCO1)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000160395282 524877671 /nfs/dbraw/zinc/87/76/71/524877671.db2.gz OTTOAJVGECOYIV-CABCVRRESA-N 1 0 351.834 1.330 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](CC)C3)c1CC ZINC000160424197 524885921 /nfs/dbraw/zinc/88/59/21/524885921.db2.gz RVKBAASIUOCDQU-UONOGXRCSA-N 1 0 361.490 1.663 20 70 FDIDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)nc1)C1CCCC1 ZINC000160432777 524886266 /nfs/dbraw/zinc/88/62/66/524886266.db2.gz WVOJWRLEVWTHJT-UHFFFAOYSA-N 1 0 369.263 1.773 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1CC ZINC000160468217 524896090 /nfs/dbraw/zinc/89/60/90/524896090.db2.gz WTMQBZLTFNYREJ-SUMWQHHRSA-N 1 0 363.506 1.766 20 70 FDIDRO C[NH+](C)CC1CCC(NC(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000160468657 524896597 /nfs/dbraw/zinc/89/65/97/524896597.db2.gz VXJYCNROSUGRQP-UHFFFAOYSA-N 1 0 362.474 1.470 20 70 FDIDRO O=C(c1ccc(CS(=O)(=O)C(F)F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160473838 524897327 /nfs/dbraw/zinc/89/73/27/524897327.db2.gz KEZWINMCDPOINI-OKILXGFUSA-N 1 0 358.410 1.791 20 70 FDIDRO COC(=O)c1[nH]c(C)c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1C ZINC000160485220 524900155 /nfs/dbraw/zinc/90/01/55/524900155.db2.gz XWSXPMCCAHBUBI-LBPRGKRZSA-N 1 0 350.463 1.031 20 70 FDIDRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160503049 524904291 /nfs/dbraw/zinc/90/42/91/524904291.db2.gz ZYSAWKXHKKXQRL-UHFFFAOYSA-N 1 0 370.453 1.724 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160539759 524911247 /nfs/dbraw/zinc/91/12/47/524911247.db2.gz OUHDUOBNXAMPQO-MRXNPFEDSA-N 1 0 365.449 1.239 20 70 FDIDRO Cc1nn(CC(C)C)c(C)c1CCC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160575555 524919929 /nfs/dbraw/zinc/91/99/29/524919929.db2.gz PIAYOPYERZUVRT-UHFFFAOYSA-N 1 0 364.534 1.909 20 70 FDIDRO NC(=O)c1ccccc1Oc1ncccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160575516 524921637 /nfs/dbraw/zinc/92/16/37/524921637.db2.gz RPUNKLALJXMGKX-OKILXGFUSA-N 1 0 366.421 1.939 20 70 FDIDRO C[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)C(=O)c1cccc(F)c1 ZINC000160587584 524922827 /nfs/dbraw/zinc/92/28/27/524922827.db2.gz DDJKBZKEUILFMC-YOEHRIQHSA-N 1 0 350.434 1.998 20 70 FDIDRO Cc1cc(C)n([C@H](C)C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000160595723 524925689 /nfs/dbraw/zinc/92/56/89/524925689.db2.gz XQUGFFDJEQUXCM-QRQLOZEOSA-N 1 0 356.470 1.813 20 70 FDIDRO CC(C)(C)C(=O)NCCC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160630770 524932797 /nfs/dbraw/zinc/93/27/97/524932797.db2.gz ZCBXXQUGZXURBK-DLBZAZTESA-N 1 0 361.486 1.290 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000160665272 524941445 /nfs/dbraw/zinc/94/14/45/524941445.db2.gz FXZGEXMKMVYXKU-OALUTQOASA-N 1 0 373.497 1.041 20 70 FDIDRO Cc1nc(CN2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)oc1C ZINC000160683988 524947064 /nfs/dbraw/zinc/94/70/64/524947064.db2.gz UROPAZRBKZSGKL-QGZVFWFLSA-N 1 0 361.490 1.603 20 70 FDIDRO CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CC[C@@H]([NH2+]C)C2)cc1 ZINC000160690374 524948483 /nfs/dbraw/zinc/94/84/83/524948483.db2.gz FOXUHAAWGIJPFH-YCABEKBOSA-N 1 0 365.499 1.551 20 70 FDIDRO Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000160691805 524948691 /nfs/dbraw/zinc/94/86/91/524948691.db2.gz KURFKOFJOIEGQA-LJQANCHMSA-N 1 0 370.497 1.947 20 70 FDIDRO O=C(c1csc([C@H]2CCCO2)n1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000160699445 524950837 /nfs/dbraw/zinc/95/08/37/524950837.db2.gz KUEQHFRFDVFJJI-MRXNPFEDSA-N 1 0 364.515 1.848 20 70 FDIDRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160721521 524955041 /nfs/dbraw/zinc/95/50/41/524955041.db2.gz LHAMLEXTNMGBJZ-BNOWGMLFSA-N 1 0 371.890 1.360 20 70 FDIDRO CN(C[C@@H](O)COCc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160726105 524958105 /nfs/dbraw/zinc/95/81/05/524958105.db2.gz BRJZHCZAYSPVHK-RBUKOAKNSA-N 1 0 361.486 1.690 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C1 ZINC000160744716 524961660 /nfs/dbraw/zinc/96/16/60/524961660.db2.gz OMCOXEYPWDGTQN-INIZCTEOSA-N 1 0 359.451 1.921 20 70 FDIDRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000160742151 524961741 /nfs/dbraw/zinc/96/17/41/524961741.db2.gz QUEFECSVBHPXQE-AWEZNQCLSA-N 1 0 353.260 1.928 20 70 FDIDRO CC(=O)N[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C1CCCC1 ZINC000160758036 524964246 /nfs/dbraw/zinc/96/42/46/524964246.db2.gz CPDWGTBZMCSLKK-AABGKKOBSA-N 1 0 373.497 1.433 20 70 FDIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000160755511 524965404 /nfs/dbraw/zinc/96/54/04/524965404.db2.gz VNQSDPXESBNAHQ-ZIAGYGMSSA-N 1 0 369.491 1.239 20 70 FDIDRO Cc1conc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000160817182 524977333 /nfs/dbraw/zinc/97/73/33/524977333.db2.gz MDQSYCSOTIXCNF-UHFFFAOYSA-N 1 0 366.368 1.790 20 70 FDIDRO CN(C)c1nc2cc(NC(=O)C(=O)NCC3CC[NH+](C)CC3)ccc2o1 ZINC000160919859 524995541 /nfs/dbraw/zinc/99/55/41/524995541.db2.gz ZNELJJXRBVFGAI-UHFFFAOYSA-N 1 0 359.430 1.290 20 70 FDIDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160994756 525012810 /nfs/dbraw/zinc/01/28/10/525012810.db2.gz RXOWNTNHJDWFHF-GOSISDBHSA-N 1 0 355.438 1.249 20 70 FDIDRO CCOc1ccc(NC(=O)CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000161007743 525014156 /nfs/dbraw/zinc/01/41/56/525014156.db2.gz RDNJWLWABWSIEF-SFHVURJKSA-N 1 0 374.485 1.262 20 70 FDIDRO Cn1cnc2cc(C(=O)NC[C@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)cnc21 ZINC000161014139 525017050 /nfs/dbraw/zinc/01/70/50/525017050.db2.gz CSLQSWHVQRPTTE-IAGOWNOFSA-N 1 0 365.437 1.334 20 70 FDIDRO Cc1noc(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000161015458 525017201 /nfs/dbraw/zinc/01/72/01/525017201.db2.gz DVRURXUYJIRINI-INIZCTEOSA-N 1 0 358.442 1.310 20 70 FDIDRO Cn1cnc2cc(C(=O)NC[C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)cnc21 ZINC000161014037 525017783 /nfs/dbraw/zinc/01/77/83/525017783.db2.gz CSLQSWHVQRPTTE-DLBZAZTESA-N 1 0 365.437 1.334 20 70 FDIDRO CC[C@@H](C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1)[NH+](C)C ZINC000161073038 525028859 /nfs/dbraw/zinc/02/88/59/525028859.db2.gz FPAPMPXJQAAPMI-INIZCTEOSA-N 1 0 353.488 1.296 20 70 FDIDRO CC(=O)N1CCC(NC(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)CC1 ZINC000161100561 525033650 /nfs/dbraw/zinc/03/36/50/525033650.db2.gz PXAZQWABSOGDEM-IBGZPJMESA-N 1 0 358.486 1.961 20 70 FDIDRO CNC(=O)NC(=O)[C@H](C)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000161196945 525051981 /nfs/dbraw/zinc/05/19/81/525051981.db2.gz QTEZJQYGXGIOOY-AWEZNQCLSA-N 1 0 361.490 1.721 20 70 FDIDRO C[C@@H](Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C(=O)N1CCNC1=O ZINC000161192461 525052616 /nfs/dbraw/zinc/05/26/16/525052616.db2.gz PGVKOCVVXDFDOE-OAHLLOKOSA-N 1 0 373.501 1.817 20 70 FDIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C ZINC000161246361 525064275 /nfs/dbraw/zinc/06/42/75/525064275.db2.gz NTEIJTVFFZIRGC-AWEZNQCLSA-N 1 0 373.432 1.859 20 70 FDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)C1 ZINC000161254402 525067087 /nfs/dbraw/zinc/06/70/87/525067087.db2.gz QDYNNEMAVOHNHV-NJAFHUGGSA-N 1 0 358.486 1.921 20 70 FDIDRO COc1ccc([C@H](NC(=O)[C@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000161268549 525069057 /nfs/dbraw/zinc/06/90/57/525069057.db2.gz SRZDYZASEUHDHH-SJCJKPOMSA-N 1 0 362.451 1.652 20 70 FDIDRO Cc1cc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)cc(C)c1F ZINC000161301987 525076698 /nfs/dbraw/zinc/07/66/98/525076698.db2.gz AYNGCGCYRMABFT-UHFFFAOYSA-N 1 0 362.467 1.004 20 70 FDIDRO CC(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000161320453 525080681 /nfs/dbraw/zinc/08/06/81/525080681.db2.gz DDGFXVULOJQZNZ-INIZCTEOSA-N 1 0 361.490 1.812 20 70 FDIDRO COCCOc1cccc(CC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000161404606 525101045 /nfs/dbraw/zinc/10/10/45/525101045.db2.gz SDQKASJGJUZUCD-IRXDYDNUSA-N 1 0 364.486 1.870 20 70 FDIDRO C[C@@]1(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CCC[NH2+]C1 ZINC000161421599 525104359 /nfs/dbraw/zinc/10/43/59/525104359.db2.gz QYETUSUCGIZZIR-GOSISDBHSA-N 1 0 351.397 1.639 20 70 FDIDRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000161426833 525107431 /nfs/dbraw/zinc/10/74/31/525107431.db2.gz TUFIXAPEKDRAIR-HNNXBMFYSA-N 1 0 366.527 1.889 20 70 FDIDRO C[C@H](NC1CC[NH+](C)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000161438161 525108993 /nfs/dbraw/zinc/10/89/93/525108993.db2.gz SBBLOVZZJNHQQS-HNNXBMFYSA-N 1 0 367.515 1.452 20 70 FDIDRO CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H]([NH+]3CCCC3)C1)CC2 ZINC000161450353 525111430 /nfs/dbraw/zinc/11/14/30/525111430.db2.gz YWJVMUZEVYNOQU-CVEARBPZSA-N 1 0 360.506 1.986 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000161474100 525115911 /nfs/dbraw/zinc/11/59/11/525115911.db2.gz OYVRQGOAUNXGOE-GFCCVEGCSA-N 1 0 374.812 1.950 20 70 FDIDRO Cc1noc(CCNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000161495973 525116994 /nfs/dbraw/zinc/11/69/94/525116994.db2.gz SCHRKBOZTBQGRE-UHFFFAOYSA-N 1 0 358.446 1.874 20 70 FDIDRO O=C(c1ccc(F)cc1F)N1CCCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000159947810 173693742 /nfs/dbraw/zinc/69/37/42/173693742.db2.gz DPVNVPRYZFQTQS-ZDUSSCGKSA-N 1 0 351.397 1.639 20 70 FDIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160396875 173709869 /nfs/dbraw/zinc/70/98/69/173709869.db2.gz RVQXQHSJKJLYIS-GFCCVEGCSA-N 1 0 372.311 1.176 20 70 FDIDRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCCN(C(N)=O)C3)CC2)CC1 ZINC000161480743 173742551 /nfs/dbraw/zinc/74/25/51/173742551.db2.gz RBIZLIJBXKGMAM-GTPINHCMSA-N 1 0 350.507 1.936 20 70 FDIDRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCO[C@H](c3cccs3)C2)CC1=O ZINC000161495762 173743819 /nfs/dbraw/zinc/74/38/19/173743819.db2.gz KJZMIUJQASCQSN-KBPBESRZSA-N 1 0 351.472 1.058 20 70 FDIDRO O=C(COCCc1ccccc1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000159372653 524655286 /nfs/dbraw/zinc/65/52/86/524655286.db2.gz KBQKBWMVPMVPDY-OAQYLSRUSA-N 1 0 368.477 1.781 20 70 FDIDRO C[C@H](NC(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1cccs1 ZINC000159381714 524658663 /nfs/dbraw/zinc/65/86/63/524658663.db2.gz ROMXKTPIHGEOIE-DZGCQCFKSA-N 1 0 364.515 1.339 20 70 FDIDRO CC1CCC(N(C)C(=O)CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000159413751 524664075 /nfs/dbraw/zinc/66/40/75/524664075.db2.gz ASGYZXHWYYXQOC-HTWSVDAQSA-N 1 0 364.534 1.438 20 70 FDIDRO CCC(CC)[C@H](CNC(=O)N[C@@H]1CCc2n[nH]cc2C1)[NH+]1CCOCC1 ZINC000159430259 524668659 /nfs/dbraw/zinc/66/86/59/524668659.db2.gz GDTSEERTKMLVHH-AEFFLSMTSA-N 1 0 363.506 1.703 20 70 FDIDRO COCCOc1cccc(CNC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159450738 524671791 /nfs/dbraw/zinc/67/17/91/524671791.db2.gz MWGSEGACQYHJIM-AEFFLSMTSA-N 1 0 350.459 1.421 20 70 FDIDRO C[C@H](O)C(=O)N1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000159492563 524682081 /nfs/dbraw/zinc/68/20/81/524682081.db2.gz MYSVRCZJGPEKDV-KRWDZBQOSA-N 1 0 373.497 1.340 20 70 FDIDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCCc2cscn2)CC1 ZINC000159562692 524697061 /nfs/dbraw/zinc/69/70/61/524697061.db2.gz BVQDFPGVZLFLKN-HOTGVXAUSA-N 1 0 365.547 1.886 20 70 FDIDRO Cc1ccn2ncc(C(=O)N3CC[C@@H](OCC[NH+]4CCCCC4)C3)c2n1 ZINC000159572973 524700268 /nfs/dbraw/zinc/70/02/68/524700268.db2.gz XFEVCPQIXMOLNB-MRXNPFEDSA-N 1 0 357.458 1.755 20 70 FDIDRO Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159624417 524709754 /nfs/dbraw/zinc/70/97/54/524709754.db2.gz PQKWWRZBPJFQGL-WBMJQRKESA-N 1 0 362.409 1.141 20 70 FDIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000159622733 524710515 /nfs/dbraw/zinc/71/05/15/524710515.db2.gz FGEXEPALEKAWNS-KRWDZBQOSA-N 1 0 363.506 1.639 20 70 FDIDRO CNC(=O)[C@@H]1CCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000159631469 524711934 /nfs/dbraw/zinc/71/19/34/524711934.db2.gz UNUOUBBIFMKKEL-INIZCTEOSA-N 1 0 366.506 1.189 20 70 FDIDRO C[N@@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C[C@H]1CCC[C@@H]1O ZINC000159681984 524720297 /nfs/dbraw/zinc/72/02/97/524720297.db2.gz YJTPCJDYVSWBKG-ABAIWWIYSA-N 1 0 355.385 1.112 20 70 FDIDRO CSC[C@H](CCO)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159733947 524728461 /nfs/dbraw/zinc/72/84/61/524728461.db2.gz KZSMHEJVGKIVIR-XIRDDKMYSA-N 1 0 351.516 1.920 20 70 FDIDRO CC[C@H](CO)[NH+]1CCN([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000159741653 524729611 /nfs/dbraw/zinc/72/96/11/524729611.db2.gz JCYJVLYPZXJBNN-CXAGYDPISA-N 1 0 369.868 1.973 20 70 FDIDRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000159826990 524746423 /nfs/dbraw/zinc/74/64/23/524746423.db2.gz NWPYLKDRQPYVJC-RXVVDRJESA-N 1 0 366.465 1.368 20 70 FDIDRO CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1C(=O)c2ccccc2C1=O ZINC000159868664 524757732 /nfs/dbraw/zinc/75/77/32/524757732.db2.gz DINISYQHMMZHGQ-VBQJREDUSA-N 1 0 355.438 1.660 20 70 FDIDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)cc1 ZINC000159868004 524758109 /nfs/dbraw/zinc/75/81/09/524758109.db2.gz DZLCQOCGOJCZCR-OLZOCXBDSA-N 1 0 371.441 1.501 20 70 FDIDRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000159945647 524773383 /nfs/dbraw/zinc/77/33/83/524773383.db2.gz IGVATVCXVZLANH-JLSDUUJJSA-N 1 0 359.470 1.858 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000159978336 524780602 /nfs/dbraw/zinc/78/06/02/524780602.db2.gz WALGFKVKCIXKNX-GJZGRUSLSA-N 1 0 363.433 1.142 20 70 FDIDRO CN(CCC(=O)OC(C)(C)C)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000160010822 524786419 /nfs/dbraw/zinc/78/64/19/524786419.db2.gz FMWCIHCNWVYQKH-UHFFFAOYSA-N 1 0 356.511 1.386 20 70 FDIDRO CN1CCO[C@@H]2CN(C(=O)N[C@@H]3CCC[N@@H+](C4CCCCC4)C3)C[C@@H]21 ZINC000160023607 524791639 /nfs/dbraw/zinc/79/16/39/524791639.db2.gz CPPPVYQNDZLTQB-BPQIPLTHSA-N 1 0 350.507 1.508 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000160045011 524797301 /nfs/dbraw/zinc/79/73/01/524797301.db2.gz QRWBQRCAAAXILW-MOPGFXCFSA-N 1 0 373.497 1.502 20 70 FDIDRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCCN(CC(F)F)CC2)C[C@H](C)O1 ZINC000160108951 524808754 /nfs/dbraw/zinc/80/87/54/524808754.db2.gz ZIXWGKRFZCIFEE-GASCZTMLSA-N 1 0 362.465 1.468 20 70 FDIDRO CN(C[C@H]1CCC[C@H]1O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000160127821 524813911 /nfs/dbraw/zinc/81/39/11/524813911.db2.gz NOURQRKRCOLNSX-IAGOWNOFSA-N 1 0 361.490 1.136 20 70 FDIDRO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000160172192 524823848 /nfs/dbraw/zinc/82/38/48/524823848.db2.gz OJWMEJDLYCAZHB-UHFFFAOYSA-N 1 0 373.563 1.627 20 70 FDIDRO C[NH+](C)[C@H](CNC(=O)CN1CCCN(CC(F)F)CC1)c1ccccc1 ZINC000160191657 524829380 /nfs/dbraw/zinc/82/93/80/524829380.db2.gz LARDNNYSWQPEFF-QGZVFWFLSA-N 1 0 368.472 1.678 20 70 FDIDRO O=C(CCc1cnn(-c2ccccc2)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160221554 524834200 /nfs/dbraw/zinc/83/42/00/524834200.db2.gz KVVYDMUSVDIHBC-LJQANCHMSA-N 1 0 356.470 1.768 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCCC(=O)N2CCCCC2)CC[N@@H+]1CCOC ZINC000160279258 524848449 /nfs/dbraw/zinc/84/84/49/524848449.db2.gz YDCJYTBOHRJSCE-KRWDZBQOSA-N 1 0 368.522 1.531 20 70 FDIDRO CCC[NH+]1CCC(N(C)C(=O)NCc2c(CC)c(CC)n[nH]c2=O)CC1 ZINC000160330310 524857451 /nfs/dbraw/zinc/85/74/51/524857451.db2.gz ZQPIFDXALRSJFK-UHFFFAOYSA-N 1 0 363.506 1.911 20 70 FDIDRO CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160344410 524862319 /nfs/dbraw/zinc/86/23/19/524862319.db2.gz YFZFESUFSJWNFJ-OAHLLOKOSA-N 1 0 367.515 1.602 20 70 FDIDRO C[C@H](Oc1cccc(CO)c1)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000160423715 524884946 /nfs/dbraw/zinc/88/49/46/524884946.db2.gz VNXVQEDTPQUDJZ-INIZCTEOSA-N 1 0 363.502 1.336 20 70 FDIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000160425501 524886004 /nfs/dbraw/zinc/88/60/04/524886004.db2.gz IQPGRZNWSHKWTR-HNNXBMFYSA-N 1 0 365.478 1.095 20 70 FDIDRO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160428119 524887017 /nfs/dbraw/zinc/88/70/17/524887017.db2.gz FSICYGAOTILAMP-QAPCUYQASA-N 1 0 351.516 1.901 20 70 FDIDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)ccc1S(C)(=O)=O ZINC000160433988 524887906 /nfs/dbraw/zinc/88/79/06/524887906.db2.gz RVDXKQFFGJXBMS-BXUZGUMPSA-N 1 0 364.471 1.664 20 70 FDIDRO COc1cccc(CO[C@H](C)C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160469610 524896671 /nfs/dbraw/zinc/89/66/71/524896671.db2.gz HEQHWIYBDXBJTE-WBVHZDCISA-N 1 0 350.459 1.563 20 70 FDIDRO C[NH+](C)Cc1ccc(C(=O)NCCCn2nc3n(c2=O)CCCC3)cc1 ZINC000160510709 524905832 /nfs/dbraw/zinc/90/58/32/524905832.db2.gz NBJYVIOCZXNGIN-UHFFFAOYSA-N 1 0 357.458 1.263 20 70 FDIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000160584330 524922187 /nfs/dbraw/zinc/92/21/87/524922187.db2.gz BVIUDYVXZURWHA-ZFWWWQNUSA-N 1 0 359.392 1.544 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCc2nnc3n2CCCC3)CC[N@@H+]1CCOC ZINC000160597599 524924549 /nfs/dbraw/zinc/92/45/49/524924549.db2.gz APZQCOFKOANSDX-HNNXBMFYSA-N 1 0 364.494 1.257 20 70 FDIDRO CCc1c(C(=O)NCC2CC[NH+](CCO)CC2)cnn1-c1ccccn1 ZINC000160643935 524937007 /nfs/dbraw/zinc/93/70/07/524937007.db2.gz QGSVXOSPASWQQM-UHFFFAOYSA-N 1 0 357.458 1.264 20 70 FDIDRO CNS(=O)(=O)[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000160667814 524941356 /nfs/dbraw/zinc/94/13/56/524941356.db2.gz QNFSYJFKROWEFU-MRXNPFEDSA-N 1 0 372.535 1.117 20 70 FDIDRO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160711390 524953050 /nfs/dbraw/zinc/95/30/50/524953050.db2.gz OYHRJPXNUUKSHZ-GASCZTMLSA-N 1 0 363.483 1.402 20 70 FDIDRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000160740769 524963303 /nfs/dbraw/zinc/96/33/03/524963303.db2.gz UKWBZNBCWWWFCX-ZIAGYGMSSA-N 1 0 353.260 1.662 20 70 FDIDRO O=C(Cn1c(=O)[nH]c2ccccc21)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160751856 524963990 /nfs/dbraw/zinc/96/39/90/524963990.db2.gz YOPBOADCJSFKEF-MSOLQXFVSA-N 1 0 372.469 1.214 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cnc(C(F)(F)F)nc1 ZINC000160784924 524971423 /nfs/dbraw/zinc/97/14/23/524971423.db2.gz MKAHAVVCMKMZHG-ZIAGYGMSSA-N 1 0 372.391 1.993 20 70 FDIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000160971495 525007453 /nfs/dbraw/zinc/00/74/53/525007453.db2.gz UXOYXMWDMTWQFX-VYMRPNJYSA-N 1 0 373.563 1.973 20 70 FDIDRO COc1cccc(O[C@@H](C)CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)c1 ZINC000161127547 525039658 /nfs/dbraw/zinc/03/96/58/525039658.db2.gz WGUHEWFFLRFGQL-ZDUSSCGKSA-N 1 0 373.457 1.717 20 70 FDIDRO CCN(C[C@H]1CCN(C(=O)NC2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000161232033 525059579 /nfs/dbraw/zinc/05/95/79/525059579.db2.gz CDVIBDNZDAIIBX-CYBMUJFWSA-N 1 0 350.429 1.996 20 70 FDIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000161245696 525063599 /nfs/dbraw/zinc/06/35/99/525063599.db2.gz SKAKXBDQYFMWGF-MRXNPFEDSA-N 1 0 355.442 1.720 20 70 FDIDRO Cc1cc(C)c(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)c(C)c1 ZINC000161304424 525076901 /nfs/dbraw/zinc/07/69/01/525076901.db2.gz YAVXOKDTCNZONC-UHFFFAOYSA-N 1 0 358.504 1.173 20 70 FDIDRO COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000161307279 525077937 /nfs/dbraw/zinc/07/79/37/525077937.db2.gz FVDAKMXFHOICLM-CJNGLKHVSA-N 1 0 366.483 1.655 20 70 FDIDRO CC(C)(C)c1ccccc1S(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC000161401254 525100726 /nfs/dbraw/zinc/10/07/26/525100726.db2.gz BDFLLTCJHMSHCJ-UHFFFAOYSA-N 1 0 354.516 1.967 20 70 FDIDRO CC(C)c1ncc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)s1 ZINC000161400548 525100944 /nfs/dbraw/zinc/10/09/44/525100944.db2.gz AREXURRPQPWVRD-ZDUSSCGKSA-N 1 0 350.488 1.821 20 70 FDIDRO Cc1cc(N(C)C)ccc1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000161445145 525110489 /nfs/dbraw/zinc/11/04/89/525110489.db2.gz FBVSUCGMDIFFFX-GOSISDBHSA-N 1 0 373.501 1.831 20 70 FDIDRO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161493005 525117057 /nfs/dbraw/zinc/11/70/57/525117057.db2.gz LTJJLOFABMDJAX-LBPRGKRZSA-N 1 0 358.255 1.875 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000160517953 173713944 /nfs/dbraw/zinc/71/39/44/173713944.db2.gz TUNYWNCCDGZSBG-OAHLLOKOSA-N 1 0 350.482 1.970 20 70 FDIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000159364288 524654544 /nfs/dbraw/zinc/65/45/44/524654544.db2.gz JXDKZAOOTLEHRP-NWDGAFQWSA-N 1 0 353.369 1.652 20 70 FDIDRO O=C(NCC1(CO)CCOCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000159390536 524659282 /nfs/dbraw/zinc/65/92/82/524659282.db2.gz GAIYPWAXVOUAPT-UHFFFAOYSA-N 1 0 353.507 1.872 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-n3cccn3)cc2)C1 ZINC000159458480 524674754 /nfs/dbraw/zinc/67/47/54/524674754.db2.gz FMPSMJTXQBKNCA-MRXNPFEDSA-N 1 0 369.469 1.905 20 70 FDIDRO C[N@H+](CCNC(=O)N1CCC[C@H]1C(=O)NC1CC1)Cc1ccc(F)cc1 ZINC000159491602 524683003 /nfs/dbraw/zinc/68/30/03/524683003.db2.gz XONIDUCAQCVFBE-KRWDZBQOSA-N 1 0 362.449 1.710 20 70 FDIDRO C[C@@H](Oc1cccc(CO)c1)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000159540481 524692687 /nfs/dbraw/zinc/69/26/87/524692687.db2.gz KFQGUTGXIMWQDM-OWCLPIDISA-N 1 0 350.459 1.562 20 70 FDIDRO C[N@@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000159572992 524700344 /nfs/dbraw/zinc/70/03/44/524700344.db2.gz KEXPLHZBPZFJPY-NHYWBVRUSA-N 1 0 364.837 1.347 20 70 FDIDRO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C[C@H]1CCC[C@@H]1O ZINC000159583419 524701141 /nfs/dbraw/zinc/70/11/41/524701141.db2.gz HIUZFXJHZCJFEI-WBMJQRKESA-N 1 0 363.849 1.952 20 70 FDIDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159598291 524706334 /nfs/dbraw/zinc/70/63/34/524706334.db2.gz VYAWLFCIUFPNGU-WFASDCNBSA-N 1 0 350.463 1.537 20 70 FDIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000159669206 524717606 /nfs/dbraw/zinc/71/76/06/524717606.db2.gz LCCQPEOLUUGMPH-KBPBESRZSA-N 1 0 351.495 1.578 20 70 FDIDRO COCCC[N@H+](C)CCNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159685068 524721698 /nfs/dbraw/zinc/72/16/98/524721698.db2.gz RQYKZXMYOJRGOU-LLVKDONJSA-N 1 0 362.396 1.618 20 70 FDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000159712211 524725978 /nfs/dbraw/zinc/72/59/78/524725978.db2.gz WAQCFGILTJCVQZ-OIISXLGYSA-N 1 0 354.458 1.413 20 70 FDIDRO CN(C)c1nccc(N2CCN(CC[N@H+](C)Cc3ccc(F)cc3)CC2)n1 ZINC000159776898 524736500 /nfs/dbraw/zinc/73/65/00/524736500.db2.gz LLYDLDRILCNMET-UHFFFAOYSA-N 1 0 372.492 1.936 20 70 FDIDRO C[C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC[N@@H+]1Cc1ccccc1 ZINC000159814364 524743584 /nfs/dbraw/zinc/74/35/84/524743584.db2.gz MHFKXYFSXGICDG-PCVOSPCESA-N 1 0 370.453 1.098 20 70 FDIDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCOc1ccccc1Cl ZINC000159849896 524753394 /nfs/dbraw/zinc/75/33/94/524753394.db2.gz TVMYUINCJDUVNP-CQSZACIVSA-N 1 0 354.882 1.654 20 70 FDIDRO CCN(C(=O)N[C@@H](C)Cn1cncn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159880839 524759691 /nfs/dbraw/zinc/75/96/91/524759691.db2.gz FYECVGQRTJDIIT-WMZOPIPTSA-N 1 0 356.474 1.973 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCc2nnc3ccccn32)CC[N@@H+]1CCOC ZINC000159894553 524761970 /nfs/dbraw/zinc/76/19/70/524761970.db2.gz SYPGQCCHSVCZHS-HNNXBMFYSA-N 1 0 360.462 1.372 20 70 FDIDRO CN(C)c1ccc(Br)c(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000159987976 524783189 /nfs/dbraw/zinc/78/31/89/524783189.db2.gz DHKOBKNJIVANAF-UHFFFAOYSA-N 1 0 350.282 1.355 20 70 FDIDRO CC(C)([NH3+])CNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000159986591 524783208 /nfs/dbraw/zinc/78/32/08/524783208.db2.gz ZJGASUFUZNDAMY-UHFFFAOYSA-N 1 0 368.231 1.289 20 70 FDIDRO CCC[N@H+](CCc1cn(CC(=O)OC)nn1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000159987420 524783689 /nfs/dbraw/zinc/78/36/89/524783689.db2.gz SEWVEOKHLFYYPN-HNNXBMFYSA-N 1 0 373.457 1.733 20 70 FDIDRO O=C(CCCc1ccc2c(c1)CC(=O)N2)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159992984 524784034 /nfs/dbraw/zinc/78/40/34/524784034.db2.gz ZVIXYPCOOYGKIU-KRWDZBQOSA-N 1 0 359.470 1.467 20 70 FDIDRO COCCN1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160041495 524794351 /nfs/dbraw/zinc/79/43/51/524794351.db2.gz ITSKOWQQAWYBML-IEBWSBKVSA-N 1 0 360.502 1.623 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000160042869 524795323 /nfs/dbraw/zinc/79/53/23/524795323.db2.gz OWBWFSMJXQDFSU-AZUAARDMSA-N 1 0 373.497 1.703 20 70 FDIDRO CC(C)c1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cnn1-c1ccccn1 ZINC000160120706 524813344 /nfs/dbraw/zinc/81/33/44/524813344.db2.gz KFCHMYSNCWWWHK-INIZCTEOSA-N 1 0 371.485 1.967 20 70 FDIDRO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160195080 524828688 /nfs/dbraw/zinc/82/86/88/524828688.db2.gz FXHIWEVGRRSZQA-AZUAARDMSA-N 1 0 373.497 1.485 20 70 FDIDRO CNS(=O)(=O)c1ccc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000160225580 524834836 /nfs/dbraw/zinc/83/48/36/524834836.db2.gz BJEZMWDHOSUADP-YOEHRIQHSA-N 1 0 360.483 1.922 20 70 FDIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000160251499 524840519 /nfs/dbraw/zinc/84/05/19/524840519.db2.gz LZGJOPNRVOEHLX-LBPRGKRZSA-N 1 0 360.483 1.677 20 70 FDIDRO COc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1OC(F)F ZINC000160275418 524848195 /nfs/dbraw/zinc/84/81/95/524848195.db2.gz NUOHKPVEGIBNFV-ZDUSSCGKSA-N 1 0 358.385 1.873 20 70 FDIDRO Cc1cccc2c(=O)n(CCC(=O)NC[C@@H](O)C[NH+]3CCCCC3)cnc12 ZINC000160359398 524866962 /nfs/dbraw/zinc/86/69/62/524866962.db2.gz LORARJDPSMBOGQ-MRXNPFEDSA-N 1 0 372.469 1.058 20 70 FDIDRO O=C(CNC(=O)c1ccsc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160356644 524867725 /nfs/dbraw/zinc/86/77/25/524867725.db2.gz ZIKGPFOIFARCMR-CVEARBPZSA-N 1 0 365.499 1.362 20 70 FDIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC1CCN(C(=O)c2cnccn2)CC1 ZINC000160442405 524889093 /nfs/dbraw/zinc/88/90/93/524889093.db2.gz NBRVLUSHRFMHPV-KRWDZBQOSA-N 1 0 374.489 1.063 20 70 FDIDRO C[NH+](C)[C@H](CNC(=O)c1cncc(I)c1)C1CC1 ZINC000160451750 524892652 /nfs/dbraw/zinc/89/26/52/524892652.db2.gz OJRZMIBZHVIZRR-GFCCVEGCSA-N 1 0 359.211 1.756 20 70 FDIDRO CCNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000160485769 524900030 /nfs/dbraw/zinc/90/00/30/524900030.db2.gz YAIHQGCIKUYXSR-KKUMJFAQSA-N 1 0 367.515 1.862 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000160585488 524922225 /nfs/dbraw/zinc/92/22/25/524922225.db2.gz QTBIXNOTDPJPNZ-AWEZNQCLSA-N 1 0 364.446 1.055 20 70 FDIDRO CCOC(=O)C1(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CCC1 ZINC000160705878 524953791 /nfs/dbraw/zinc/95/37/91/524953791.db2.gz XAWVVLOFXLHAHS-IAGOWNOFSA-N 1 0 360.454 1.471 20 70 FDIDRO CCn1nccc1/C=C/C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160706572 524954649 /nfs/dbraw/zinc/95/46/49/524954649.db2.gz QEICBPLOSOWFQX-HKVOBHHDSA-N 1 0 354.454 1.668 20 70 FDIDRO O=C(Cc1ccc(F)c(Br)c1)NCC1CC[NH+](CCO)CC1 ZINC000160724619 524957331 /nfs/dbraw/zinc/95/73/31/524957331.db2.gz WIWDGVRJVNKKGU-UHFFFAOYSA-N 1 0 373.266 1.951 20 70 FDIDRO CCOC(=O)c1sc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)nc1C ZINC000160782053 524970589 /nfs/dbraw/zinc/97/05/89/524970589.db2.gz ZSZMQRGRVPKFJF-CYBMUJFWSA-N 1 0 366.487 1.547 20 70 FDIDRO Cn1cc(CN2CCCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CC2)cn1 ZINC000160854459 524984076 /nfs/dbraw/zinc/98/40/76/524984076.db2.gz FEFKKPUEBTZBAO-SFHVURJKSA-N 1 0 374.533 1.654 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)co1 ZINC000160912411 524994892 /nfs/dbraw/zinc/99/48/92/524994892.db2.gz FAJUFXWIVROBKB-IUODEOHRSA-N 1 0 367.471 1.277 20 70 FDIDRO C[C@H](NC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)C(C)(C)C[NH+](C)C ZINC000160923048 524996595 /nfs/dbraw/zinc/99/65/95/524996595.db2.gz GBPBPUZATWARMT-STQMWFEESA-N 1 0 371.507 1.341 20 70 FDIDRO NC(=O)CNC(=O)c1ccc(C[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000161004228 525014981 /nfs/dbraw/zinc/01/49/81/525014981.db2.gz FHSPQIOBGBQCAS-KRWDZBQOSA-N 1 0 353.422 1.905 20 70 FDIDRO Cc1[nH]c(=O)ccc1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000161002132 525015614 /nfs/dbraw/zinc/01/56/14/525015614.db2.gz WSQYOYQXJVYJQD-UHFFFAOYSA-N 1 0 356.382 1.817 20 70 FDIDRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(F)cc1N(C)C ZINC000161014850 525016939 /nfs/dbraw/zinc/01/69/39/525016939.db2.gz LPHYDOHMYMEXSF-ZDUSSCGKSA-N 1 0 372.444 1.958 20 70 FDIDRO COC(=O)c1csc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000161046661 525022302 /nfs/dbraw/zinc/02/23/02/525022302.db2.gz PZDNXWGMWAYZOR-UHFFFAOYSA-N 1 0 354.476 1.682 20 70 FDIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000161099379 525032699 /nfs/dbraw/zinc/03/26/99/525032699.db2.gz IOTDMQNAJRCNIS-GJZGRUSLSA-N 1 0 353.488 1.942 20 70 FDIDRO CCS(=O)(=O)NCc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000161131719 525040316 /nfs/dbraw/zinc/04/03/16/525040316.db2.gz HTHBIHKWAQOPGI-UHFFFAOYSA-N 1 0 365.499 1.294 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 ZINC000161197015 525051638 /nfs/dbraw/zinc/05/16/38/525051638.db2.gz QQKXTGFWFKXQME-ZDUSSCGKSA-N 1 0 355.460 1.197 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000161216550 525058113 /nfs/dbraw/zinc/05/81/13/525058113.db2.gz FRERJGPSOOIFPP-SMDDNHRTSA-N 1 0 368.275 1.778 20 70 FDIDRO CCN(C(=O)NCCCn1ccnn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161225345 525060670 /nfs/dbraw/zinc/06/06/70/525060670.db2.gz KPBISLCTLHVXGC-GOSISDBHSA-N 1 0 356.474 1.974 20 70 FDIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000161258361 525066725 /nfs/dbraw/zinc/06/67/25/525066725.db2.gz DAVHSFUFVKGWFR-CQSZACIVSA-N 1 0 357.458 1.966 20 70 FDIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)[C@@H](C)C1 ZINC000161285778 525072192 /nfs/dbraw/zinc/07/21/92/525072192.db2.gz HTNFIPZNINHBMZ-LRDDRELGSA-N 1 0 359.470 1.989 20 70 FDIDRO C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC[NH2+]C1 ZINC000161289746 525073697 /nfs/dbraw/zinc/07/36/97/525073697.db2.gz DCEAEQDPAWQINQ-KSSFIOAISA-N 1 0 367.396 1.899 20 70 FDIDRO CCS(=O)(=O)c1ccc(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161319822 525080620 /nfs/dbraw/zinc/08/06/20/525080620.db2.gz WZETVFWKJNTBDT-XYPWUTKMSA-N 1 0 350.484 1.764 20 70 FDIDRO CC(C)(C)c1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000161408712 525103275 /nfs/dbraw/zinc/10/32/75/525103275.db2.gz YJMXUBRTSXSJAB-UHFFFAOYSA-N 1 0 354.516 1.967 20 70 FDIDRO COc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c2ccccc12 ZINC000161465401 525114509 /nfs/dbraw/zinc/11/45/09/525114509.db2.gz CLAGVBUANPFTNR-QGZVFWFLSA-N 1 0 352.456 1.439 20 70 FDIDRO COCC[NH+]1CCC(NC(=O)Nc2cccc(-c3ncn(C)n3)c2)CC1 ZINC000161491749 525117741 /nfs/dbraw/zinc/11/77/41/525117741.db2.gz IPEHRSLZIZTFCL-UHFFFAOYSA-N 1 0 358.446 1.714 20 70 FDIDRO Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1C ZINC000161496448 525119667 /nfs/dbraw/zinc/11/96/67/525119667.db2.gz BKFZYURSMFUVHB-KBPBESRZSA-N 1 0 353.488 1.553 20 70 FDIDRO O=C(CN1CCC(=O)NC1=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000216968078 537452682 /nfs/dbraw/zinc/45/26/82/537452682.db2.gz KPQAJBPDXRLDGF-UHFFFAOYSA-N 1 0 362.455 1.116 20 70 FDIDRO CCS(=O)(=O)NCc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000159370132 173674756 /nfs/dbraw/zinc/67/47/56/173674756.db2.gz QRKBXMSNUFQLJW-UHFFFAOYSA-N 1 0 365.499 1.483 20 70 FDIDRO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000159945272 173693243 /nfs/dbraw/zinc/69/32/43/173693243.db2.gz WHRPWJNUZDCEGW-WBAXXEDZSA-N 1 0 359.470 1.858 20 70 FDIDRO CO[C@H]1CCN(S(=O)(=O)c2ccc(Br)s2)[C@H](C[NH3+])C1 ZINC000161151938 173731680 /nfs/dbraw/zinc/73/16/80/173731680.db2.gz CCDBMJNTQHGCGJ-IUCAKERBSA-N 1 0 369.306 1.637 20 70 FDIDRO O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1=O)[C@@H]1CCCC[NH2+]1 ZINC000159361925 524650948 /nfs/dbraw/zinc/65/09/48/524650948.db2.gz KHKGESOZEHTZOZ-NWDGAFQWSA-N 1 0 353.369 1.652 20 70 FDIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000159364139 524653599 /nfs/dbraw/zinc/65/35/99/524653599.db2.gz JXDKZAOOTLEHRP-RYUDHWBXSA-N 1 0 353.369 1.652 20 70 FDIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)NC2CCCCCCC2)CC1 ZINC000159380925 524655841 /nfs/dbraw/zinc/65/58/41/524655841.db2.gz NLAUONWVWOHPOY-SFHVURJKSA-N 1 0 364.534 1.630 20 70 FDIDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCc3sccc32)CC1 ZINC000159390066 524660145 /nfs/dbraw/zinc/66/01/45/524660145.db2.gz HHFPGQGNVXFGOP-HZPDHXFCSA-N 1 0 361.511 1.933 20 70 FDIDRO CC1CCC(NC(=O)CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000159416063 524663854 /nfs/dbraw/zinc/66/38/54/524663854.db2.gz ZPDXBUJYOZGBLQ-VMBOVVBDSA-N 1 0 350.507 1.095 20 70 FDIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000159422372 524665865 /nfs/dbraw/zinc/66/58/65/524665865.db2.gz JQYHQTMPGSVWDI-INIZCTEOSA-N 1 0 373.432 1.790 20 70 FDIDRO CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CC[NH2+]CC1 ZINC000159419151 524666294 /nfs/dbraw/zinc/66/62/94/524666294.db2.gz GFVQEHOEQZMJNZ-HXUWFJFHSA-N 1 0 353.466 1.955 20 70 FDIDRO CCc1nnc(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000159466509 524676405 /nfs/dbraw/zinc/67/64/05/524676405.db2.gz XNKUIAZULQUKFI-PBWFPOADSA-N 1 0 364.519 1.875 20 70 FDIDRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000159508803 524687749 /nfs/dbraw/zinc/68/77/49/524687749.db2.gz OATOFAVUWXKSNB-CQSZACIVSA-N 1 0 370.501 1.983 20 70 FDIDRO C[C@H](CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CC[NH+](C)CC1 ZINC000159523901 524689121 /nfs/dbraw/zinc/68/91/21/524689121.db2.gz YEFVXJGRFIWKFU-VXGBXAGGSA-N 1 0 373.423 1.286 20 70 FDIDRO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)Cc2c(C)nc3ccccn32)C1 ZINC000159546906 524693588 /nfs/dbraw/zinc/69/35/88/524693588.db2.gz AIJKLBDLWUENSN-MRXNPFEDSA-N 1 0 372.469 1.876 20 70 FDIDRO Cc1ccccc1C(=O)NCC(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000159564203 524697575 /nfs/dbraw/zinc/69/75/75/524697575.db2.gz GINCBRHYGMDZLG-GOSISDBHSA-N 1 0 373.497 1.828 20 70 FDIDRO C[C@@H]1C[C@@H](NC(=O)NCC2(CO)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000159613012 524708469 /nfs/dbraw/zinc/70/84/69/524708469.db2.gz FGBKXBGCCGMYRR-SJLPKXTDSA-N 1 0 361.486 1.738 20 70 FDIDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000159644752 524712673 /nfs/dbraw/zinc/71/26/73/524712673.db2.gz NTGYIZFBRHROIK-MRXNPFEDSA-N 1 0 372.473 1.910 20 70 FDIDRO C[N@@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)C[C@@H]1CCC[C@@H]1O ZINC000159694371 524722813 /nfs/dbraw/zinc/72/28/13/524722813.db2.gz PDBDIGKZCQNGMI-OALUTQOASA-N 1 0 373.497 1.518 20 70 FDIDRO [NH3+][C@@H](C(=O)NCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000159799878 524740965 /nfs/dbraw/zinc/74/09/65/524740965.db2.gz DXBJGILYAPESKU-QGZVFWFLSA-N 1 0 351.406 1.879 20 70 FDIDRO Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCC([NH2+]CC3CC3)CC1)C2=O ZINC000159796340 524741547 /nfs/dbraw/zinc/74/15/47/524741547.db2.gz BKCTZMAIGZRBRV-AWEZNQCLSA-N 1 0 369.465 1.970 20 70 FDIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000159815284 524745696 /nfs/dbraw/zinc/74/56/96/524745696.db2.gz DWDXNJMHVCQBIX-IAGOWNOFSA-N 1 0 359.470 1.575 20 70 FDIDRO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159849778 524752758 /nfs/dbraw/zinc/75/27/58/524752758.db2.gz KUUFSLOWTFMHEB-CABCVRRESA-N 1 0 360.458 1.666 20 70 FDIDRO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159863481 524755573 /nfs/dbraw/zinc/75/55/73/524755573.db2.gz DKRBGTWDIZMDFE-BBRMVZONSA-N 1 0 367.877 1.796 20 70 FDIDRO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000159888617 524760135 /nfs/dbraw/zinc/76/01/35/524760135.db2.gz UZAYPRQIULDKBM-DOTOQJQBSA-N 1 0 361.490 1.544 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCCNc2nccc(C(F)(F)F)n2)CC1 ZINC000159887640 524760660 /nfs/dbraw/zinc/76/06/60/524760660.db2.gz PXGPLFXMSHOYFI-UHFFFAOYSA-N 1 0 360.384 1.645 20 70 FDIDRO CC(C)(C)S(=O)(=O)CC(=O)NCCCN1CCc2ccccc2C1 ZINC000159916686 524767741 /nfs/dbraw/zinc/76/77/41/524767741.db2.gz YGWVZIGDANPPNC-UHFFFAOYSA-N 1 0 352.500 1.764 20 70 FDIDRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000159945378 524773025 /nfs/dbraw/zinc/77/30/25/524773025.db2.gz WHRPWJNUZDCEGW-FHLIZLRMSA-N 1 0 359.470 1.858 20 70 FDIDRO CS(=O)(=O)CCN1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000159958582 524774575 /nfs/dbraw/zinc/77/45/75/524774575.db2.gz DIGWPNRZANNXBF-UHFFFAOYSA-N 1 0 365.543 1.754 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)CC1 ZINC000159951897 524775286 /nfs/dbraw/zinc/77/52/86/524775286.db2.gz LGBFFRPCQVIVBB-UHFFFAOYSA-N 1 0 360.506 1.799 20 70 FDIDRO COc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1OC(F)F ZINC000160005613 524787901 /nfs/dbraw/zinc/78/79/01/524787901.db2.gz XTFDNPNXAKATSJ-ZDUSSCGKSA-N 1 0 358.385 1.873 20 70 FDIDRO COc1ccc(C)cc1-n1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000160024702 524790999 /nfs/dbraw/zinc/79/09/99/524790999.db2.gz GMZAWUNMZLPOLK-MRXNPFEDSA-N 1 0 372.469 1.766 20 70 FDIDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2C)CC1 ZINC000160039633 524794727 /nfs/dbraw/zinc/79/47/27/524794727.db2.gz PZGGMCCEPXLJHU-UHFFFAOYSA-N 1 0 355.442 1.720 20 70 FDIDRO CCCn1c2ccccc2n(CCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1=O ZINC000160048496 524797470 /nfs/dbraw/zinc/79/74/70/524797470.db2.gz CYAAYWHMFDRRMN-IYBDPMFKSA-N 1 0 356.470 1.956 20 70 FDIDRO Cn1c(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cccc1=O ZINC000160077218 524802943 /nfs/dbraw/zinc/80/29/43/524802943.db2.gz DZOLONCEETXVOY-UHFFFAOYSA-N 1 0 368.437 1.335 20 70 FDIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)NCC(=O)OC ZINC000160087808 524806169 /nfs/dbraw/zinc/80/61/69/524806169.db2.gz ZOFZICXJMDVSQR-OAHLLOKOSA-N 1 0 362.474 1.298 20 70 FDIDRO NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000160113836 524812314 /nfs/dbraw/zinc/81/23/14/524812314.db2.gz FRAGLPKLMJEQOS-OAHLLOKOSA-N 1 0 351.472 1.425 20 70 FDIDRO O=C1OCc2ccc(S(=O)(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)cc21 ZINC000160149857 524821136 /nfs/dbraw/zinc/82/11/36/524821136.db2.gz SZKKXETYHOCUNV-OAHLLOKOSA-N 1 0 364.467 1.996 20 70 FDIDRO Cc1c(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cnn1-c1ccccc1 ZINC000160179483 524825198 /nfs/dbraw/zinc/82/51/98/524825198.db2.gz VNPOEEFGCCYRBX-OAHLLOKOSA-N 1 0 369.469 1.967 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(-n2cccn2)ccn1 ZINC000160171061 524825229 /nfs/dbraw/zinc/82/52/29/524825229.db2.gz BWIIVEGXJWYKFN-MOPGFXCFSA-N 1 0 369.469 1.765 20 70 FDIDRO [NH3+][C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)C1 ZINC000160226874 524835706 /nfs/dbraw/zinc/83/57/06/524835706.db2.gz NHVYSROBKJPQQI-MRXNPFEDSA-N 1 0 371.462 1.611 20 70 FDIDRO C[C@@H](c1ccc(NC(=O)C(=O)NCCn2cccc2)cc1)N1CCOCC1 ZINC000160244505 524839803 /nfs/dbraw/zinc/83/98/03/524839803.db2.gz JQYAEDMEIAEESD-INIZCTEOSA-N 1 0 370.453 1.636 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCc2cccnc2N(C)C)CC[N@@H+]1CCOC ZINC000160295199 524852677 /nfs/dbraw/zinc/85/26/77/524852677.db2.gz VMTOHBHYTIWVCF-KRWDZBQOSA-N 1 0 363.506 1.790 20 70 FDIDRO O=C(Cc1cn2ccsc2n1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160306385 524854663 /nfs/dbraw/zinc/85/46/63/524854663.db2.gz DWQAFMPTKRARQD-HZPDHXFCSA-N 1 0 362.499 1.822 20 70 FDIDRO O=C(CSCC(=O)c1ccccc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160373457 524872706 /nfs/dbraw/zinc/87/27/06/524872706.db2.gz OLRJCRLPGUMBCP-MRXNPFEDSA-N 1 0 350.484 1.566 20 70 FDIDRO O=C(CNC(=O)c1cccnc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000160402379 524879488 /nfs/dbraw/zinc/87/94/88/524879488.db2.gz OTBAQBIHBZMYAJ-UHFFFAOYSA-N 1 0 352.438 1.546 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1CC ZINC000160412896 524882842 /nfs/dbraw/zinc/88/28/42/524882842.db2.gz GCJVNOMHFBJGIG-DYVFJYSZSA-N 1 0 361.490 1.520 20 70 FDIDRO O=C(CNC(=O)c1cccc(Cl)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160436140 524890089 /nfs/dbraw/zinc/89/00/89/524890089.db2.gz AGGUHHSOAVKOCW-OAHLLOKOSA-N 1 0 353.850 1.033 20 70 FDIDRO C[NH+](C)CCN(C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)C1CCCC1 ZINC000160457853 524893411 /nfs/dbraw/zinc/89/34/11/524893411.db2.gz FXBOWHGHSYTGBL-FQEVSTJZSA-N 1 0 372.469 1.688 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C ZINC000160464288 524895595 /nfs/dbraw/zinc/89/55/95/524895595.db2.gz FRLYWXUEOMEMIU-ZDUSSCGKSA-N 1 0 370.519 1.613 20 70 FDIDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc(S(N)(=O)=O)c1C ZINC000160500529 524904744 /nfs/dbraw/zinc/90/47/44/524904744.db2.gz NGKWEGHSUADNCL-MRXNPFEDSA-N 1 0 367.515 1.801 20 70 FDIDRO CC(=O)N(CCC(=O)NCC1CC[NH+](CCO)CC1)Cc1ccccc1 ZINC000160534567 524911055 /nfs/dbraw/zinc/91/10/55/524911055.db2.gz FAYNVYJFFHXOAE-UHFFFAOYSA-N 1 0 361.486 1.246 20 70 FDIDRO CCCc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)[nH]c(C)c1C(=O)OC ZINC000160544911 524911563 /nfs/dbraw/zinc/91/15/63/524911563.db2.gz PKGPEKWXULREFU-CQSZACIVSA-N 1 0 365.474 1.639 20 70 FDIDRO CCOC(=O)c1cc2cc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)ccc2[nH]1 ZINC000160551653 524915113 /nfs/dbraw/zinc/91/51/13/524915113.db2.gz VGQCDTYNYXCKDH-INIZCTEOSA-N 1 0 373.453 1.921 20 70 FDIDRO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160571333 524918208 /nfs/dbraw/zinc/91/82/08/524918208.db2.gz LZFPOCGZOSUNCT-RDTXWAMCSA-N 1 0 359.470 1.715 20 70 FDIDRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160579610 524921576 /nfs/dbraw/zinc/92/15/76/524921576.db2.gz YGNKYRAKBPHJIU-XJKSGUPXSA-N 1 0 367.877 1.421 20 70 FDIDRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC2(C1)OCCO2 ZINC000160668095 524941943 /nfs/dbraw/zinc/94/19/43/524941943.db2.gz ZHQLMMNUYVWNJR-FUHWJXTLSA-N 1 0 359.470 1.214 20 70 FDIDRO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160669238 524944203 /nfs/dbraw/zinc/94/42/03/524944203.db2.gz XYGYRKXEVPJXLI-ZWKOTPCHSA-N 1 0 358.486 1.469 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000160700115 524951787 /nfs/dbraw/zinc/95/17/87/524951787.db2.gz MVFYJGFGINFRCE-LJQANCHMSA-N 1 0 362.470 1.679 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)co1 ZINC000160815946 524976868 /nfs/dbraw/zinc/97/68/68/524976868.db2.gz QJVQFCKWKWLJBQ-GFCCVEGCSA-N 1 0 355.460 1.277 20 70 FDIDRO C[C@H]1C[C@H](N(C)S(=O)(=O)CCC(=O)OCc2ccccc2)CC[N@@H+]1C ZINC000160843184 524982432 /nfs/dbraw/zinc/98/24/32/524982432.db2.gz VIMHQJCFPAKNJS-DOTOQJQBSA-N 1 0 368.499 1.864 20 70 FDIDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160994864 525012243 /nfs/dbraw/zinc/01/22/43/525012243.db2.gz RXOWNTNHJDWFHF-SFHVURJKSA-N 1 0 355.438 1.249 20 70 FDIDRO CCCC[N@H+](C)CC1CCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC000160993533 525013113 /nfs/dbraw/zinc/01/31/13/525013113.db2.gz ZUXAOAZXHQQZMU-UHFFFAOYSA-N 1 0 357.476 1.511 20 70 FDIDRO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Nc1ccn(CC[NH+](C)C)n1)CC2 ZINC000161088775 525030465 /nfs/dbraw/zinc/03/04/65/525030465.db2.gz DGMFGBFCDBPIKD-LSDHHAIUSA-N 1 0 365.478 1.229 20 70 FDIDRO O=S(=O)(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CCCCC1 ZINC000161123760 525039497 /nfs/dbraw/zinc/03/94/97/525039497.db2.gz SCADEJVMSPADGV-UHFFFAOYSA-N 1 0 367.515 1.464 20 70 FDIDRO CSCC[C@H]([NH3+])C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000161181904 525050157 /nfs/dbraw/zinc/05/01/57/525050157.db2.gz FTSCAZTZYJMDLY-AWEZNQCLSA-N 1 0 355.891 1.591 20 70 FDIDRO CC[N@H+](CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C)C1CC1 ZINC000161260744 525066978 /nfs/dbraw/zinc/06/69/78/525066978.db2.gz ZIRUZKXHLCADKU-UHFFFAOYSA-N 1 0 355.442 1.720 20 70 FDIDRO CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161358745 525089311 /nfs/dbraw/zinc/08/93/11/525089311.db2.gz QXDTWUIGQNLTDK-QGZVFWFLSA-N 1 0 360.458 1.148 20 70 FDIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(OC)c2)cc1 ZINC000161366262 525090276 /nfs/dbraw/zinc/09/02/76/525090276.db2.gz DNMPJCPXPLZFRH-UGSOOPFHSA-N 1 0 364.467 1.988 20 70 FDIDRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)Cc2ccccc2F)CC1 ZINC000161439651 525108462 /nfs/dbraw/zinc/10/84/62/525108462.db2.gz IOFHHTIGBAEZKW-AWEZNQCLSA-N 1 0 358.479 1.680 20 70 FDIDRO CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H]([NH+]3CCCC3)C1)CC2 ZINC000161450745 525111968 /nfs/dbraw/zinc/11/19/68/525111968.db2.gz YWJVMUZEVYNOQU-JKSUJKDBSA-N 1 0 360.506 1.986 20 70 FDIDRO CCOc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c2ccccc12 ZINC000161456714 525112997 /nfs/dbraw/zinc/11/29/97/525112997.db2.gz OUSABXGYJJPSBT-GOSISDBHSA-N 1 0 366.483 1.829 20 70 FDIDRO Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000161496688 525119943 /nfs/dbraw/zinc/11/99/43/525119943.db2.gz BKFZYURSMFUVHB-UONOGXRCSA-N 1 0 353.488 1.553 20 70 FDIDRO Cc1cc(S(=O)(=O)F)cnc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164736538 720534603 /nfs/dbraw/zinc/53/46/03/720534603.db2.gz ZHKMUSDWTUVIFJ-ZDUSSCGKSA-N 1 0 367.450 1.443 20 70 FDIDRO [NH3+][C@@H]1CCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000160306714 258263341 /nfs/dbraw/zinc/26/33/41/258263341.db2.gz AMVPPTCNEDMUAA-MPBGBICISA-N 1 0 359.289 1.897 20 70 FDIDRO O=C(COc1ccc(Br)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160227528 173703793 /nfs/dbraw/zinc/70/37/93/173703793.db2.gz SPVLEIVPVBHWNA-CQSZACIVSA-N 1 0 371.275 1.791 20 70 FDIDRO CO[C@@H]1CCN(C(=O)c2cccc(I)c2)[C@H](C[NH3+])C1 ZINC000161104628 173730220 /nfs/dbraw/zinc/73/02/20/173730220.db2.gz HOTIWTWRICKVKW-QWHCGFSZSA-N 1 0 374.222 1.870 20 70 FDIDRO O=C(C[C@@H]1CCC[NH2+]1)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000159664727 518198904 /nfs/dbraw/zinc/19/89/04/518198904.db2.gz VZVMLBDESGMAGY-KRWDZBQOSA-N 1 0 365.499 1.239 20 70 FDIDRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159377132 524655624 /nfs/dbraw/zinc/65/56/24/524655624.db2.gz YKSOJVXSWQZAKE-WBMJQRKESA-N 1 0 371.890 1.219 20 70 FDIDRO Cc1ccccc1CNC(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159377264 524656585 /nfs/dbraw/zinc/65/65/85/524656585.db2.gz QYUOUDLVLTUVOA-GOSISDBHSA-N 1 0 358.486 1.025 20 70 FDIDRO CC(=O)Nc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)ccc1C ZINC000159442681 524669472 /nfs/dbraw/zinc/66/94/72/524669472.db2.gz FNIIWSGRWIFLNA-INIZCTEOSA-N 1 0 374.485 1.986 20 70 FDIDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(N3CCCNC3=O)CC2)C1 ZINC000159455766 524673587 /nfs/dbraw/zinc/67/35/87/524673587.db2.gz PKTNTPOADKBMFT-GDBMZVCRSA-N 1 0 351.495 1.449 20 70 FDIDRO CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000159611315 524707636 /nfs/dbraw/zinc/70/76/36/524707636.db2.gz MRPPCCCRDOZBFB-MRXNPFEDSA-N 1 0 352.500 1.981 20 70 FDIDRO CC(C)NC(=O)N1CCC[C@H]1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000159630888 524713250 /nfs/dbraw/zinc/71/32/50/524713250.db2.gz YLFGCIMVSRUBLO-ROUUACIJSA-N 1 0 360.502 1.858 20 70 FDIDRO CNC(=O)COc1cccc(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000159701247 524723268 /nfs/dbraw/zinc/72/32/68/524723268.db2.gz WPPCQGOTTGCGSX-IBGZPJMESA-N 1 0 369.465 1.773 20 70 FDIDRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)co1 ZINC000159816853 524744797 /nfs/dbraw/zinc/74/47/97/524744797.db2.gz FYVRQNPAWXCPCE-UHFFFAOYSA-N 1 0 369.487 1.620 20 70 FDIDRO O=C(CCCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)NC1CC1 ZINC000159815172 524745959 /nfs/dbraw/zinc/74/59/59/524745959.db2.gz XIWBFXSRSJYTPD-UHFFFAOYSA-N 1 0 373.497 1.680 20 70 FDIDRO COCC[N@H+](C)CCCNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159841760 524750854 /nfs/dbraw/zinc/75/08/54/524750854.db2.gz LADOYTJXRJNLQW-NSHDSACASA-N 1 0 362.396 1.618 20 70 FDIDRO CN(C(=O)C1CC2(C1)NC(=O)NC2=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159858795 524754513 /nfs/dbraw/zinc/75/45/13/524754513.db2.gz SKBOAYVZLILYLP-NGEICVOHSA-N 1 0 370.453 1.098 20 70 FDIDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159864132 524755086 /nfs/dbraw/zinc/75/50/86/524755086.db2.gz UZCCBBRMMILRPC-RHSMWYFYSA-N 1 0 365.441 1.847 20 70 FDIDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)N(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000159876662 524758709 /nfs/dbraw/zinc/75/87/09/524758709.db2.gz FNMRXPZYMQZNJJ-SJLPKXTDSA-N 1 0 373.501 1.658 20 70 FDIDRO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCC(C)(C)[NH3+])cc1 ZINC000159980371 524779823 /nfs/dbraw/zinc/77/98/23/524779823.db2.gz ZWRSDVCCQMIDCP-UHFFFAOYSA-N 1 0 355.504 1.503 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000159985298 524782567 /nfs/dbraw/zinc/78/25/67/524782567.db2.gz JMBUJIDSHMLDGC-INIZCTEOSA-N 1 0 374.441 1.912 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000160041191 524795125 /nfs/dbraw/zinc/79/51/25/524795125.db2.gz SLVXZBKJSDUCJO-SQNIBIBYSA-N 1 0 365.518 1.378 20 70 FDIDRO C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)NCCC[NH3+] ZINC000160032361 524795151 /nfs/dbraw/zinc/79/51/51/524795151.db2.gz DCRCNHHAWGYZNZ-LJQANCHMSA-N 1 0 358.442 1.231 20 70 FDIDRO CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NCC(C)(C)[NH3+])cc1 ZINC000160057343 524799473 /nfs/dbraw/zinc/79/94/73/524799473.db2.gz HGCGNQUGHRCXLE-FMIVXFBMSA-N 1 0 353.488 1.584 20 70 FDIDRO C[NH+](C)C[C@H](O)COc1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000160108847 524809807 /nfs/dbraw/zinc/80/98/07/524809807.db2.gz NBKJQNLAVFKYLG-HNNXBMFYSA-N 1 0 350.440 1.789 20 70 FDIDRO CC(C)(C)C(=O)N1CCC(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)CC1 ZINC000160102338 524809872 /nfs/dbraw/zinc/80/98/72/524809872.db2.gz BOOJIDGQFNKFSF-AWEZNQCLSA-N 1 0 368.440 1.879 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000160117092 524811574 /nfs/dbraw/zinc/81/15/74/524811574.db2.gz ZLIWSMIESHHKSH-SJORKVTESA-N 1 0 351.491 1.131 20 70 FDIDRO Cc1noc(C)c1[C@@H](C)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000160157698 524820620 /nfs/dbraw/zinc/82/06/20/524820620.db2.gz SPRXUFORCZQLOG-XJKSGUPXSA-N 1 0 362.474 1.550 20 70 FDIDRO Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160171443 524825498 /nfs/dbraw/zinc/82/54/98/524825498.db2.gz WQMKWOYKGLYNLO-KRWDZBQOSA-N 1 0 350.507 1.661 20 70 FDIDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000160223675 524834868 /nfs/dbraw/zinc/83/48/68/524834868.db2.gz KSLRNJVQIVRIHN-HZPDHXFCSA-N 1 0 365.499 1.325 20 70 FDIDRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cnn1CC(C)C ZINC000160246897 524840333 /nfs/dbraw/zinc/84/03/33/524840333.db2.gz DXZGZGAQFXQIHX-QGZVFWFLSA-N 1 0 363.506 1.520 20 70 FDIDRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cnn1CC(C)C ZINC000160247018 524840712 /nfs/dbraw/zinc/84/07/12/524840712.db2.gz DXZGZGAQFXQIHX-KRWDZBQOSA-N 1 0 363.506 1.520 20 70 FDIDRO COCCc1noc(CN(C)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000160268476 524845016 /nfs/dbraw/zinc/84/50/16/524845016.db2.gz SUVBFOAWTFANPJ-KBPBESRZSA-N 1 0 353.467 1.520 20 70 FDIDRO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160274374 524846867 /nfs/dbraw/zinc/84/68/67/524846867.db2.gz QBFRLLSQWRSRIH-TXEJJXNPSA-N 1 0 362.373 1.947 20 70 FDIDRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cn1C ZINC000160306418 524853328 /nfs/dbraw/zinc/85/33/28/524853328.db2.gz QLUXCGOMSIWILR-CYBMUJFWSA-N 1 0 357.476 1.210 20 70 FDIDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c(OC)c1 ZINC000160330815 524859543 /nfs/dbraw/zinc/85/95/43/524859543.db2.gz AGFUKEYEAOYCPU-OCCSQVGLSA-N 1 0 373.457 1.925 20 70 FDIDRO NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)O1 ZINC000160342729 524863049 /nfs/dbraw/zinc/86/30/49/524863049.db2.gz FRJHEUNARSNNGZ-IAGOWNOFSA-N 1 0 366.506 1.317 20 70 FDIDRO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(=O)[nH]c1C ZINC000160369937 524869981 /nfs/dbraw/zinc/86/99/81/524869981.db2.gz QXDRBVCZDYUSKO-BLLLJJGKSA-N 1 0 355.442 1.422 20 70 FDIDRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000160412060 524882304 /nfs/dbraw/zinc/88/23/04/524882304.db2.gz LSTRHFSXQMDTCT-HKUYNNGSSA-N 1 0 360.502 1.891 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000160412709 524882678 /nfs/dbraw/zinc/88/26/78/524882678.db2.gz GFZRGYNQXTXOTJ-CABCVRRESA-N 1 0 367.490 1.602 20 70 FDIDRO CC[NH+]1CCN(CCCNC(=O)c2ccnc(OCC(F)(F)F)c2)CC1 ZINC000160443165 524889888 /nfs/dbraw/zinc/88/98/88/524889888.db2.gz VILICUKJIZUAFI-UHFFFAOYSA-N 1 0 374.407 1.780 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 ZINC000160437415 524890609 /nfs/dbraw/zinc/89/06/09/524890609.db2.gz KYSIKGBGDPMUJZ-QGZVFWFLSA-N 1 0 372.469 1.096 20 70 FDIDRO COC(=O)c1[nH]c(C)c(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1C ZINC000160456907 524893914 /nfs/dbraw/zinc/89/39/14/524893914.db2.gz PGNRWQRWVOTSSZ-OAHLLOKOSA-N 1 0 364.490 1.420 20 70 FDIDRO Cc1cccc2[nH]c(CNC(=O)c3ccnc(N4CC[NH+](C)CC4)c3)nc21 ZINC000160463938 524895487 /nfs/dbraw/zinc/89/54/87/524895487.db2.gz POBSEVPCTKQNFZ-UHFFFAOYSA-N 1 0 364.453 1.948 20 70 FDIDRO Cc1nn(C)c(Cl)c1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160469561 524895632 /nfs/dbraw/zinc/89/56/32/524895632.db2.gz QQKGEXDOSBXLFQ-CABCVRRESA-N 1 0 362.861 1.747 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1C(C)C ZINC000160464155 524896233 /nfs/dbraw/zinc/89/62/33/524896233.db2.gz FRLYWXUEOMEMIU-CYBMUJFWSA-N 1 0 370.519 1.613 20 70 FDIDRO CN(C)C(=O)c1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160515864 524905523 /nfs/dbraw/zinc/90/55/23/524905523.db2.gz OLXHVAFVWDADCJ-RTBURBONSA-N 1 0 373.497 1.886 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000160518915 524908429 /nfs/dbraw/zinc/90/84/29/524908429.db2.gz KTNLMGBQOKMJGP-KRWDZBQOSA-N 1 0 372.469 1.128 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)C1 ZINC000160563952 524916636 /nfs/dbraw/zinc/91/66/36/524916636.db2.gz HPJJNDLDTUCDQI-UKRRQHHQSA-N 1 0 365.861 1.774 20 70 FDIDRO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160571213 524918497 /nfs/dbraw/zinc/91/84/97/524918497.db2.gz LZFPOCGZOSUNCT-KSSFIOAISA-N 1 0 359.470 1.715 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000160570986 524918903 /nfs/dbraw/zinc/91/89/03/524918903.db2.gz GTWGOLQBNQGCLD-HIFRSBDPSA-N 1 0 369.387 1.874 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000160575361 524919903 /nfs/dbraw/zinc/91/99/03/524919903.db2.gz RODASLOKUMKSFB-OALUTQOASA-N 1 0 373.497 1.644 20 70 FDIDRO Cc1nn(C)c(C)c1OCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160582416 524920955 /nfs/dbraw/zinc/92/09/55/524920955.db2.gz GHMZEIFGXKLMCD-IAGOWNOFSA-N 1 0 364.490 1.300 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(N2CCCC2=O)ccc1F ZINC000160584200 524921920 /nfs/dbraw/zinc/92/19/20/524921920.db2.gz IQNGBSINHCAIAJ-HNNXBMFYSA-N 1 0 363.433 1.529 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 ZINC000160605047 524927783 /nfs/dbraw/zinc/92/77/83/524927783.db2.gz UCPZUUKGYORYOQ-AWEZNQCLSA-N 1 0 351.397 1.637 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000160613780 524928785 /nfs/dbraw/zinc/92/87/85/524928785.db2.gz OGDUTXNSLOFRHI-UHFFFAOYSA-N 1 0 362.861 1.960 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cnn1-c1ccccc1 ZINC000160623124 524932086 /nfs/dbraw/zinc/93/20/86/524932086.db2.gz RBNHBTIFHUYNOH-HNNXBMFYSA-N 1 0 369.469 1.967 20 70 FDIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160621296 524932324 /nfs/dbraw/zinc/93/23/24/524932324.db2.gz DAVLOIPTJSPXBA-AWEZNQCLSA-N 1 0 357.462 1.240 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000160665538 524941800 /nfs/dbraw/zinc/94/18/00/524941800.db2.gz FXZGEXMKMVYXKU-RBUKOAKNSA-N 1 0 373.497 1.041 20 70 FDIDRO Cn1cnc2cc(C(=O)N3CCC(OCC[NH+]4CCCC4)CC3)cnc21 ZINC000160675929 524945759 /nfs/dbraw/zinc/94/57/59/524945759.db2.gz CBLZAWPFXQBNLD-UHFFFAOYSA-N 1 0 357.458 1.685 20 70 FDIDRO CC(=O)NC1(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CCCCC1 ZINC000160725591 524958406 /nfs/dbraw/zinc/95/84/06/524958406.db2.gz RMYBTNPAAWEALK-RBUKOAKNSA-N 1 0 373.497 1.577 20 70 FDIDRO CCc1nn(C)c(Cl)c1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160731173 524959405 /nfs/dbraw/zinc/95/94/05/524959405.db2.gz RKQWYUISAFIEJC-UHFFFAOYSA-N 1 0 354.882 1.820 20 70 FDIDRO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CCC[NH+]2CCCCC2)C1 ZINC000160829179 524979225 /nfs/dbraw/zinc/97/92/25/524979225.db2.gz JMWUETVCMCZGTI-KRWDZBQOSA-N 1 0 353.507 1.596 20 70 FDIDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c(F)c1 ZINC000160959600 525005297 /nfs/dbraw/zinc/00/52/97/525005297.db2.gz WPMIBDJFVHCMBK-GFCCVEGCSA-N 1 0 359.401 1.900 20 70 FDIDRO CCOC(=O)CCS(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160974097 525005666 /nfs/dbraw/zinc/00/56/66/525005666.db2.gz IZIAUVPPYXFJKD-UHFFFAOYSA-N 1 0 360.520 1.902 20 70 FDIDRO COCCC1(CNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000161005135 525014741 /nfs/dbraw/zinc/01/47/41/525014741.db2.gz JBDUDLFQMMNWOH-GOSISDBHSA-N 1 0 361.486 1.522 20 70 FDIDRO COCC[N@H+](C)CC[C@H](NC(=O)C(=O)Nc1nocc1C)c1ccccc1 ZINC000161053885 525025034 /nfs/dbraw/zinc/02/50/34/525025034.db2.gz DKSLEAAMOUIVTP-INIZCTEOSA-N 1 0 374.441 1.747 20 70 FDIDRO CCC[C@@H]([NH3+])C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000161173657 525049028 /nfs/dbraw/zinc/04/90/28/525049028.db2.gz GRQXTXLCNMGGEZ-MRXNPFEDSA-N 1 0 353.488 1.224 20 70 FDIDRO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000161189288 525049426 /nfs/dbraw/zinc/04/94/26/525049426.db2.gz ARFDNHHENQZMMX-INIZCTEOSA-N 1 0 369.469 1.838 20 70 FDIDRO CCc1ccc([C@@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)[NH+](C)C)cc1 ZINC000161301478 525076513 /nfs/dbraw/zinc/07/65/13/525076513.db2.gz OCNFQEDVDIRBQP-QGZVFWFLSA-N 1 0 356.470 1.992 20 70 FDIDRO CN1C(=O)C[C@@H](C(=O)N[C@@H]2CCN(c3ccccn3)C2)[C@H]1c1cccnc1 ZINC000161315590 525077818 /nfs/dbraw/zinc/07/78/18/525077818.db2.gz ZQWPYAWLBBLMKM-GPMSIDNRSA-N 1 0 365.437 1.391 20 70 FDIDRO CC1(C)NC(=O)N(CCC[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)C1=O ZINC000161348737 525086348 /nfs/dbraw/zinc/08/63/48/525086348.db2.gz UBVVSXZNLJTCJT-LLVKDONJSA-N 1 0 351.369 1.342 20 70 FDIDRO C[C@@H]1Cc2cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc(Cl)c2O1 ZINC000161416697 525105127 /nfs/dbraw/zinc/10/51/27/525105127.db2.gz HSMZFIRHTNIXEF-MEBBXXQBSA-N 1 0 362.879 1.254 20 70 FDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000161436372 525108861 /nfs/dbraw/zinc/10/88/61/525108861.db2.gz ZALXZDUWSQYKJM-GFCCVEGCSA-N 1 0 362.442 1.678 20 70 FDIDRO Cc1cccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c1Br ZINC000161447124 525110592 /nfs/dbraw/zinc/11/05/92/525110592.db2.gz OOZDFXZPCAPQFA-ZDUSSCGKSA-N 1 0 365.293 1.348 20 70 FDIDRO Cc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c(F)c1 ZINC000161458918 525114570 /nfs/dbraw/zinc/11/45/70/525114570.db2.gz LCNBYGRKVUCZIG-AWEZNQCLSA-N 1 0 358.479 1.847 20 70 FDIDRO Cc1ccccc1CS(=O)(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000161463893 525114690 /nfs/dbraw/zinc/11/46/90/525114690.db2.gz LYTASTFWCHGAJG-INIZCTEOSA-N 1 0 354.516 1.849 20 70 FDIDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000161040395 258263359 /nfs/dbraw/zinc/26/33/59/258263359.db2.gz NJVDWTPALJUECK-MRXNPFEDSA-N 1 0 354.458 1.626 20 70 FDIDRO CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000159819356 173689555 /nfs/dbraw/zinc/68/95/55/173689555.db2.gz ISVWWZYJFHFWLH-SJLPKXTDSA-N 1 0 373.497 1.829 20 70 FDIDRO CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[NH2+]CC3)cc(C(C)C)nc21 ZINC000160856761 173723412 /nfs/dbraw/zinc/72/34/12/173723412.db2.gz FMGOAFQFGOOIQT-UHFFFAOYSA-N 1 0 373.457 1.054 20 70 FDIDRO C[C@@H](CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CC[NH+](C)CC1 ZINC000159523784 524689685 /nfs/dbraw/zinc/68/96/85/524689685.db2.gz YEFVXJGRFIWKFU-NWDGAFQWSA-N 1 0 373.423 1.286 20 70 FDIDRO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)Cc2c(C)nc3ccccn32)C1 ZINC000159547064 524692548 /nfs/dbraw/zinc/69/25/48/524692548.db2.gz AIJKLBDLWUENSN-INIZCTEOSA-N 1 0 372.469 1.876 20 70 FDIDRO O=C(CN1C(=O)NC2(CCCC2)C1=O)NCC[NH2+]C1CCCCCC1 ZINC000159661309 524717104 /nfs/dbraw/zinc/71/71/04/524717104.db2.gz AANPRFMYVVQSEN-UHFFFAOYSA-N 1 0 350.463 1.280 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)NCC[NH2+]C2CCCCCC2)ccc1F ZINC000159659744 524717452 /nfs/dbraw/zinc/71/74/52/524717452.db2.gz FCAKONPGAHWSPF-UHFFFAOYSA-N 1 0 371.478 1.776 20 70 FDIDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H](C)c2c(C)noc2C)CC1 ZINC000159678074 524718874 /nfs/dbraw/zinc/71/88/74/524718874.db2.gz KBLMFVUNTODDEX-GJZGRUSLSA-N 1 0 365.522 1.968 20 70 FDIDRO C[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)C[C@@H]1CCC[C@@H]1O ZINC000159706685 524724414 /nfs/dbraw/zinc/72/44/14/524724414.db2.gz ORGDACGBRCYTBR-OALUTQOASA-N 1 0 356.470 1.640 20 70 FDIDRO COc1ccc(CCNC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1OC ZINC000159781275 524736644 /nfs/dbraw/zinc/73/66/44/524736644.db2.gz ZZRVLKJYPYSOKS-HOTGVXAUSA-N 1 0 350.459 1.455 20 70 FDIDRO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)N(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000159876414 524757962 /nfs/dbraw/zinc/75/79/62/524757962.db2.gz FNMRXPZYMQZNJJ-AEFFLSMTSA-N 1 0 373.501 1.658 20 70 FDIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000159872918 524758876 /nfs/dbraw/zinc/75/88/76/524758876.db2.gz GJJNJCMLWPMHAF-UONOGXRCSA-N 1 0 370.457 1.043 20 70 FDIDRO C[C@@]1(C(=O)NC[C@H](O)C[NH+]2CCCCC2)CCCN1C(=O)c1ccccc1 ZINC000159932588 524771542 /nfs/dbraw/zinc/77/15/42/524771542.db2.gz HEYCPHHCTVZZFQ-RXVVDRJESA-N 1 0 373.497 1.644 20 70 FDIDRO C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000159963566 524778202 /nfs/dbraw/zinc/77/82/02/524778202.db2.gz SHXSCQZQCCSQOY-DNVCBOLYSA-N 1 0 373.497 1.617 20 70 FDIDRO CCNS(=O)(=O)c1ccc(CNC(=O)N2CCC[N@H+](CC)CC2)cc1 ZINC000160000364 524784849 /nfs/dbraw/zinc/78/48/49/524784849.db2.gz HEVDFIDAWAQWSJ-UHFFFAOYSA-N 1 0 368.503 1.222 20 70 FDIDRO CNC(=O)[C@H]1CCCN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000160002588 524786819 /nfs/dbraw/zinc/78/68/19/524786819.db2.gz PXFPFQKPEOEPTE-SZMVWBNQSA-N 1 0 358.486 1.817 20 70 FDIDRO CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000160075978 524803945 /nfs/dbraw/zinc/80/39/45/524803945.db2.gz FAQHFFHSYSRJRV-DLBZAZTESA-N 1 0 354.539 1.907 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000160117462 524812790 /nfs/dbraw/zinc/81/27/90/524812790.db2.gz ZLIWSMIESHHKSH-DLBZAZTESA-N 1 0 351.491 1.131 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1OC[C@H]1CCCO1 ZINC000160129383 524815544 /nfs/dbraw/zinc/81/55/44/524815544.db2.gz XKBNIOQFSOQDME-DLBZAZTESA-N 1 0 362.470 1.821 20 70 FDIDRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[NH3+])ccc1F ZINC000160136940 524815965 /nfs/dbraw/zinc/81/59/65/524815965.db2.gz BJFPMXBWUFPVBW-LBPRGKRZSA-N 1 0 357.451 1.466 20 70 FDIDRO COCC(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160141409 524818425 /nfs/dbraw/zinc/81/84/25/524818425.db2.gz DQJDSKMOMQFBLA-SJLPKXTDSA-N 1 0 374.485 1.150 20 70 FDIDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)Nc1nocc1C ZINC000160159403 524819853 /nfs/dbraw/zinc/81/98/53/524819853.db2.gz DONNJHMKOUJLIL-UHFFFAOYSA-N 1 0 374.441 1.959 20 70 FDIDRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCCC[NH3+])cc2)C1 ZINC000160156140 524821394 /nfs/dbraw/zinc/82/13/94/524821394.db2.gz LCGYCIJXUILXLN-ZIAGYGMSSA-N 1 0 353.488 1.432 20 70 FDIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000160178656 524823705 /nfs/dbraw/zinc/82/37/05/524823705.db2.gz FDFUIKDWGLRFQS-HOCLYGCPSA-N 1 0 357.462 1.705 20 70 FDIDRO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160195213 524829867 /nfs/dbraw/zinc/82/98/67/524829867.db2.gz FXHIWEVGRRSZQA-QUCCMNQESA-N 1 0 373.497 1.485 20 70 FDIDRO Cc1csc(=O)n1CCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160232705 524836216 /nfs/dbraw/zinc/83/62/16/524836216.db2.gz GVWFWLOOUPCMGU-HOTGVXAUSA-N 1 0 367.515 1.492 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCc2cccnc2OC)CC[N@@H+]1CCOC ZINC000160240231 524839139 /nfs/dbraw/zinc/83/91/39/524839139.db2.gz GUSLGDFHOLFFDT-INIZCTEOSA-N 1 0 350.463 1.733 20 70 FDIDRO Cn1cc(N2CC[C@H](NC(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000160296096 524851574 /nfs/dbraw/zinc/85/15/74/524851574.db2.gz YTQLWTGFJDEQOZ-RDJZCZTQSA-N 1 0 374.489 1.185 20 70 FDIDRO CO[C@]1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCOC1 ZINC000160357708 524867593 /nfs/dbraw/zinc/86/75/93/524867593.db2.gz VOXOEYCTBMZIRN-ZFWWWQNUSA-N 1 0 360.248 1.584 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O ZINC000160409726 524879724 /nfs/dbraw/zinc/87/97/24/524879724.db2.gz SNVUAFFGCKGGKY-HNNXBMFYSA-N 1 0 353.488 1.007 20 70 FDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 ZINC000160448510 524892511 /nfs/dbraw/zinc/89/25/11/524892511.db2.gz ABKAGUFFDPGEML-OJXHRBAXSA-N 1 0 365.499 1.584 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(OCC(F)(F)F)nc1 ZINC000160474301 524898017 /nfs/dbraw/zinc/89/80/17/524898017.db2.gz TWKMCTLVCFGCEX-CYBMUJFWSA-N 1 0 361.364 1.599 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cn(Cc2cccc(F)c2)nn1 ZINC000160484351 524899471 /nfs/dbraw/zinc/89/94/71/524899471.db2.gz DEDYEJDBCHUNPR-MRXNPFEDSA-N 1 0 361.421 1.042 20 70 FDIDRO COc1ccc(OC)c(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160526008 524908753 /nfs/dbraw/zinc/90/87/53/524908753.db2.gz AKCRDSDDQXDSGU-MRXNPFEDSA-N 1 0 350.459 1.599 20 70 FDIDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160545832 524912469 /nfs/dbraw/zinc/91/24/69/524912469.db2.gz FRGIWZWKKFVBFS-INIZCTEOSA-N 1 0 360.462 1.960 20 70 FDIDRO O=C(CC[C@H]1Cc2ccccc2NC1=O)NCC1CC[NH+](CCO)CC1 ZINC000160598466 524924524 /nfs/dbraw/zinc/92/45/24/524924524.db2.gz PRFUYVMYWVQFNN-KRWDZBQOSA-N 1 0 359.470 1.398 20 70 FDIDRO CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000160635499 524934962 /nfs/dbraw/zinc/93/49/62/524934962.db2.gz DEULXFZBPXUJBF-MRXNPFEDSA-N 1 0 353.507 1.092 20 70 FDIDRO COCCCNC(=O)C1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160636171 524936372 /nfs/dbraw/zinc/93/63/72/524936372.db2.gz RMJXIXAGDFWJOP-KRWDZBQOSA-N 1 0 366.506 1.045 20 70 FDIDRO CC(=O)N[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000160648581 524937778 /nfs/dbraw/zinc/93/77/78/524937778.db2.gz ITVYXOYONCZXIL-OALUTQOASA-N 1 0 361.486 1.525 20 70 FDIDRO COc1ccc(OCCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160674062 524943730 /nfs/dbraw/zinc/94/37/30/524943730.db2.gz DJQMKTFAMOHTTC-INIZCTEOSA-N 1 0 350.459 1.817 20 70 FDIDRO CN(C)c1ncc(CN(C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000160713716 524956833 /nfs/dbraw/zinc/95/68/33/524956833.db2.gz YNLPBVOORCBWDC-SFHVURJKSA-N 1 0 370.501 1.394 20 70 FDIDRO CCCC(=O)NC[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160755110 524964301 /nfs/dbraw/zinc/96/43/01/524964301.db2.gz BALUOLFJFQNAEK-SJORKVTESA-N 1 0 350.507 1.809 20 70 FDIDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000160920653 524996127 /nfs/dbraw/zinc/99/61/27/524996127.db2.gz RJVVAMDHVRBMAB-ZDUSSCGKSA-N 1 0 361.442 1.803 20 70 FDIDRO C[C@@H]1C[NH+](CC2CCN(C(=O)CNC(=O)c3cccnc3)CC2)C[C@@H](C)O1 ZINC000160914207 524996194 /nfs/dbraw/zinc/99/61/94/524996194.db2.gz ZOZQKEUXKZRGRF-HZPDHXFCSA-N 1 0 374.485 1.159 20 70 FDIDRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000160959066 525004512 /nfs/dbraw/zinc/00/45/12/525004512.db2.gz CWWXAKYCXVDNTP-ZDUSSCGKSA-N 1 0 368.437 1.711 20 70 FDIDRO O=C(Nc1ccccc1)C1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000160993071 525012953 /nfs/dbraw/zinc/01/29/53/525012953.db2.gz GQXFSEAERPYACQ-RTBURBONSA-N 1 0 362.470 1.894 20 70 FDIDRO CCOC(=O)c1c(C)oc2nc(CN3CC[C@@H](C[NH+](C)C)C3)nc(N)c21 ZINC000161104796 525035672 /nfs/dbraw/zinc/03/56/72/525035672.db2.gz WSXJADNISPDCAX-LBPRGKRZSA-N 1 0 361.446 1.674 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000161192230 525049763 /nfs/dbraw/zinc/04/97/63/525049763.db2.gz YBLJHCJCLXSFPM-CQSZACIVSA-N 1 0 353.488 1.587 20 70 FDIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@]2(O)CCSC2)CC1 ZINC000161229371 525060008 /nfs/dbraw/zinc/06/00/08/525060008.db2.gz WFWWPWWWXWKXBH-KSSFIOAISA-N 1 0 364.515 1.774 20 70 FDIDRO CC(=O)N1CCc2cc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)ccc21 ZINC000161242143 525062492 /nfs/dbraw/zinc/06/24/92/525062492.db2.gz SBFZJNBOPKDBMT-INIZCTEOSA-N 1 0 353.488 1.590 20 70 FDIDRO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000161250888 525065308 /nfs/dbraw/zinc/06/53/08/525065308.db2.gz PQHFYANBYACUBA-GOSISDBHSA-N 1 0 369.469 1.884 20 70 FDIDRO CC(=O)NC1CCC([NH2+]CCN2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000161261356 525067610 /nfs/dbraw/zinc/06/76/10/525067610.db2.gz BSEYWMYOIAESBQ-UHFFFAOYSA-N 1 0 362.493 1.985 20 70 FDIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C2CCOCC2)c1C ZINC000161303945 525076976 /nfs/dbraw/zinc/07/69/76/525076976.db2.gz CIIIIMCMCYXSJI-INIZCTEOSA-N 1 0 350.463 1.384 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000161363870 525089803 /nfs/dbraw/zinc/08/98/03/525089803.db2.gz MJZDYLNUKVFDPS-OAHLLOKOSA-N 1 0 353.488 1.182 20 70 FDIDRO Cc1cc(N(C)C)ccc1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000161444999 525110403 /nfs/dbraw/zinc/11/04/03/525110403.db2.gz FBVSUCGMDIFFFX-SFHVURJKSA-N 1 0 373.501 1.831 20 70 FDIDRO CC1CC[NH+](C2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1 ZINC000161469929 525114586 /nfs/dbraw/zinc/11/45/86/525114586.db2.gz DXZFTOACNFBJRQ-UHFFFAOYSA-N 1 0 358.486 1.971 20 70 FDIDRO C[C@H](C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000161470302 525114678 /nfs/dbraw/zinc/11/46/78/525114678.db2.gz FDLXHCFSSBCHKE-ATZDWAIDSA-N 1 0 373.497 1.479 20 70 FDIDRO CSC[C@@](C)(O)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159976009 173694205 /nfs/dbraw/zinc/69/42/05/173694205.db2.gz PQOLZVSOFJXZHE-HFTRVMKXSA-N 1 0 351.516 1.920 20 70 FDIDRO [NH3+]C[C@H]1CCCN1C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000160251382 173703592 /nfs/dbraw/zinc/70/35/92/173703592.db2.gz LZGJOPNRVOEHLX-GFCCVEGCSA-N 1 0 360.483 1.677 20 70 FDIDRO CC(=O)c1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000161449640 173742142 /nfs/dbraw/zinc/74/21/42/173742142.db2.gz HXRXAJRWJAYPJE-AWEZNQCLSA-N 1 0 368.499 1.603 20 70 FDIDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159439906 524670751 /nfs/dbraw/zinc/67/07/51/524670751.db2.gz NTJHRQRSALOFAC-NEPJUHHUSA-N 1 0 373.423 1.286 20 70 FDIDRO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@](C)(O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000159484088 524681303 /nfs/dbraw/zinc/68/13/03/524681303.db2.gz NPGOLGZTIJFSBX-KHYOSLBOSA-N 1 0 367.465 1.832 20 70 FDIDRO [NH3+]C1(CNC(=O)C2CCN(c3ccc4nncn4n3)CC2)CCCCC1 ZINC000159515365 524688713 /nfs/dbraw/zinc/68/87/13/524688713.db2.gz OVEDTEXPJUYLCW-UHFFFAOYSA-N 1 0 357.462 1.119 20 70 FDIDRO CC(C)NC(=O)N1CCC[C@H]1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000159630730 524710319 /nfs/dbraw/zinc/71/03/19/524710319.db2.gz YLFGCIMVSRUBLO-MSOLQXFVSA-N 1 0 360.502 1.858 20 70 FDIDRO CC[C@H](CO)[NH+]1CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000159742172 524730850 /nfs/dbraw/zinc/73/08/50/524730850.db2.gz KMLNFNMETTZKME-CABCVRRESA-N 1 0 370.291 1.364 20 70 FDIDRO Cc1cccc2c(=O)n(CC(=O)N3CCC([NH2+]CC4CC4)CC3)cnc12 ZINC000159851795 524752315 /nfs/dbraw/zinc/75/23/15/524752315.db2.gz FQEGDWPLZJGHCX-UHFFFAOYSA-N 1 0 354.454 1.696 20 70 FDIDRO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159849925 524753838 /nfs/dbraw/zinc/75/38/38/524753838.db2.gz KUUFSLOWTFMHEB-GJZGRUSLSA-N 1 0 360.458 1.666 20 70 FDIDRO O=C(Cc1cccc(Br)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159915042 524766568 /nfs/dbraw/zinc/76/65/68/524766568.db2.gz LLBRGSLBBBYYRS-HNNXBMFYSA-N 1 0 355.276 1.955 20 70 FDIDRO COc1ccc(C(=O)CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1F ZINC000159936229 524770198 /nfs/dbraw/zinc/77/01/98/524770198.db2.gz VKCWUGRJZKGIDZ-HNNXBMFYSA-N 1 0 366.433 1.760 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccccc2CS(C)(=O)=O)CC1 ZINC000159949541 524774404 /nfs/dbraw/zinc/77/44/04/524774404.db2.gz OELXDDLVTJSHFA-UHFFFAOYSA-N 1 0 353.488 1.468 20 70 FDIDRO CC(C)(C)n1ccnc1SCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159967561 524778105 /nfs/dbraw/zinc/77/81/05/524778105.db2.gz RWOPYPGVQSBBNL-CQSZACIVSA-N 1 0 354.520 1.693 20 70 FDIDRO CCO[C@@H](C)c1nc(CC(=O)NC[C@H](O)C[NH+]2CCCCC2)cs1 ZINC000159960684 524778828 /nfs/dbraw/zinc/77/88/28/524778828.db2.gz WCIDDAHBKDOIGP-ZFWWWQNUSA-N 1 0 355.504 1.746 20 70 FDIDRO COCCS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159982072 524781279 /nfs/dbraw/zinc/78/12/79/524781279.db2.gz AZJFSOPSHORDDC-GASCZTMLSA-N 1 0 352.456 1.073 20 70 FDIDRO CCCNC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159978128 524781346 /nfs/dbraw/zinc/78/13/46/524781346.db2.gz ACXGOABAGDKBJX-MRXNPFEDSA-N 1 0 355.442 1.795 20 70 FDIDRO COCCn1cc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cn1 ZINC000159986441 524782324 /nfs/dbraw/zinc/78/23/24/524782324.db2.gz QCLVENCFPCNLDN-UHFFFAOYSA-N 1 0 372.469 1.986 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(N2CCCNC2=O)c1 ZINC000160013123 524790227 /nfs/dbraw/zinc/79/02/27/524790227.db2.gz XNICGTVWOMTQMW-QGZVFWFLSA-N 1 0 360.458 1.183 20 70 FDIDRO COc1cccc([C@H](CNC(=O)C(=O)Nc2nocc2C)[NH+]2CCCC2)c1 ZINC000160041458 524794066 /nfs/dbraw/zinc/79/40/66/524794066.db2.gz JQRNEURLDVYHOQ-INIZCTEOSA-N 1 0 372.425 1.883 20 70 FDIDRO O=C(C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1)N(Cc1ccccc1)C1CC1 ZINC000160057445 524798662 /nfs/dbraw/zinc/79/86/62/524798662.db2.gz GGNKLJBBQDQQBB-IBGZPJMESA-N 1 0 371.481 1.405 20 70 FDIDRO CNC(=O)Cn1cc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000160061234 524799596 /nfs/dbraw/zinc/79/95/96/524799596.db2.gz HDGCMBGEZYIUMD-GDBMZVCRSA-N 1 0 370.457 1.414 20 70 FDIDRO CC[NH+]1CCN(CCNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000160081027 524802967 /nfs/dbraw/zinc/80/29/67/524802967.db2.gz HCUNGMDPKXOYIB-PBHICJAKSA-N 1 0 364.515 1.021 20 70 FDIDRO [NH3+]CCCNC(=O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 ZINC000160105561 524809098 /nfs/dbraw/zinc/80/90/98/524809098.db2.gz UOUZWNMOWNIHDY-UHFFFAOYSA-N 1 0 357.451 1.272 20 70 FDIDRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])s2)CC1 ZINC000160146644 524818087 /nfs/dbraw/zinc/81/80/87/524818087.db2.gz BGDMMZZSZIBRHB-CYBMUJFWSA-N 1 0 371.528 1.732 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000160190796 524826224 /nfs/dbraw/zinc/82/62/24/524826224.db2.gz FBYCFHNJICWPFY-GBESFXJTSA-N 1 0 372.465 1.652 20 70 FDIDRO CC(C)OC(=O)CCCNC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000160183846 524827100 /nfs/dbraw/zinc/82/71/00/524827100.db2.gz WVPUWSUPXRVLPX-KRWDZBQOSA-N 1 0 368.522 1.530 20 70 FDIDRO O=C(CN[C@H](c1ccccc1)C(F)(F)F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160205187 524830130 /nfs/dbraw/zinc/83/01/30/524830130.db2.gz GGYVRDYVBDSVBH-DOTOQJQBSA-N 1 0 373.419 1.843 20 70 FDIDRO CC(C)(C)c1noc(CCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000160216463 524832732 /nfs/dbraw/zinc/83/27/32/524832732.db2.gz JYNNEWXALWYGFT-CQSZACIVSA-N 1 0 352.479 1.653 20 70 FDIDRO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)nn1 ZINC000160237341 524839681 /nfs/dbraw/zinc/83/96/81/524839681.db2.gz JGGAERWFFNQOMI-UHFFFAOYSA-N 1 0 356.426 1.372 20 70 FDIDRO CC(C)CCn1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nn1 ZINC000160258041 524842787 /nfs/dbraw/zinc/84/27/87/524842787.db2.gz UYJFJANCONDVPU-QZTJIDSGSA-N 1 0 363.506 1.822 20 70 FDIDRO COC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1C ZINC000160263350 524843563 /nfs/dbraw/zinc/84/35/63/524843563.db2.gz YXOXWBHUAJWOBY-HNNXBMFYSA-N 1 0 363.458 1.603 20 70 FDIDRO CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CC1 ZINC000160267029 524846411 /nfs/dbraw/zinc/84/64/11/524846411.db2.gz NNGZWAUMYYCHKQ-UHFFFAOYSA-N 1 0 359.470 1.797 20 70 FDIDRO CC(C)(C)C(=O)NCCCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160287437 524849739 /nfs/dbraw/zinc/84/97/39/524849739.db2.gz YYMDEAAWDKAFGZ-IAGOWNOFSA-N 1 0 367.534 1.813 20 70 FDIDRO Cn1cc(N2CC[C@@H](NC(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000160296474 524851627 /nfs/dbraw/zinc/85/16/27/524851627.db2.gz YTQLWTGFJDEQOZ-NVXWUHKLSA-N 1 0 374.489 1.185 20 70 FDIDRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)CCCC(=O)NC)CC1 ZINC000160323899 524857528 /nfs/dbraw/zinc/85/75/28/524857528.db2.gz VESAPWNVROCEMJ-UHFFFAOYSA-N 1 0 361.490 1.818 20 70 FDIDRO Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000160402519 524881061 /nfs/dbraw/zinc/88/10/61/524881061.db2.gz CADKKIUVQLKUII-MRXNPFEDSA-N 1 0 367.515 1.883 20 70 FDIDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000160412814 524883841 /nfs/dbraw/zinc/88/38/41/524883841.db2.gz HYDPWTXGJWZRGF-UHFFFAOYSA-N 1 0 361.446 1.680 20 70 FDIDRO O=C(c1cncc(I)c1)N1CC[NH+](CC2CC2)CC1 ZINC000160428199 524888048 /nfs/dbraw/zinc/88/80/48/524888048.db2.gz FKVVYGRMIIWDHO-UHFFFAOYSA-N 1 0 371.222 1.854 20 70 FDIDRO C[C@@H](NC(=O)CC1CCCCC1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160436641 524890199 /nfs/dbraw/zinc/89/01/99/524890199.db2.gz ZYKDREHCSDAJOL-WBVHZDCISA-N 1 0 353.507 1.425 20 70 FDIDRO CCS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000160452089 524894598 /nfs/dbraw/zinc/89/45/98/524894598.db2.gz CXAFDIOHHFQTFD-KRWDZBQOSA-N 1 0 352.500 1.869 20 70 FDIDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c2cnn(C)c2n1 ZINC000160465007 524896577 /nfs/dbraw/zinc/89/65/77/524896577.db2.gz BKKLBKAAEKUJNO-QZTJIDSGSA-N 1 0 371.485 1.774 20 70 FDIDRO CN(C)C(=O)c1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160515628 524905740 /nfs/dbraw/zinc/90/57/40/524905740.db2.gz OLXHVAFVWDADCJ-MOPGFXCFSA-N 1 0 373.497 1.886 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCCc2c(C)nn(C)c2C)CC[N@@H+]1CCOC ZINC000160514706 524906077 /nfs/dbraw/zinc/90/60/77/524906077.db2.gz ZBSOULIJKVNKKU-QGZVFWFLSA-N 1 0 365.522 1.722 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)C1 ZINC000160545736 524913296 /nfs/dbraw/zinc/91/32/96/524913296.db2.gz PIHJOKDMRBXTKV-ZDUSSCGKSA-N 1 0 353.488 1.506 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000160571239 524918466 /nfs/dbraw/zinc/91/84/66/524918466.db2.gz GTWGOLQBNQGCLD-ZFWWWQNUSA-N 1 0 369.387 1.874 20 70 FDIDRO CCN(Cc1ccc(OCc2noc(C)n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000160579369 524920064 /nfs/dbraw/zinc/92/00/64/524920064.db2.gz DLUQDUTUTAMKJT-HNNXBMFYSA-N 1 0 365.455 1.966 20 70 FDIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000160584677 524921839 /nfs/dbraw/zinc/92/18/39/524921839.db2.gz BVIUDYVXZURWHA-UKRRQHHQSA-N 1 0 359.392 1.544 20 70 FDIDRO CC(C)N(C)C(=O)C1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160608366 524926531 /nfs/dbraw/zinc/92/65/31/524926531.db2.gz LACUJIRIUUFNRX-KRWDZBQOSA-N 1 0 350.507 1.759 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ncccc1OCC(F)(F)F ZINC000160610329 524930038 /nfs/dbraw/zinc/93/00/38/524930038.db2.gz MEQBOCBBNPMDTP-LBPRGKRZSA-N 1 0 361.364 1.599 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)C1 ZINC000160637380 524936658 /nfs/dbraw/zinc/93/66/58/524936658.db2.gz AVIAHWGCDJRFGC-SNVBAGLBSA-N 1 0 357.311 1.859 20 70 FDIDRO COc1ccc(-n2ccc(C(=O)NCC3CC[NH+](CCO)CC3)n2)cc1 ZINC000160668475 524943488 /nfs/dbraw/zinc/94/34/88/524943488.db2.gz RYAQCYVLFZBFLH-UHFFFAOYSA-N 1 0 358.442 1.315 20 70 FDIDRO CC(C)(C)CC(=O)NCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160677243 524944157 /nfs/dbraw/zinc/94/41/57/524944157.db2.gz VJURFFFYADMUQX-JKSUJKDBSA-N 1 0 353.507 1.423 20 70 FDIDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C3(NC(N)=O)CC3)cc2)C1 ZINC000160694892 524951406 /nfs/dbraw/zinc/95/14/06/524951406.db2.gz WLDQBBJTZKJMAV-GASCZTMLSA-N 1 0 358.486 1.982 20 70 FDIDRO O=C(Cc1c[nH]c2ncccc12)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160745558 524962641 /nfs/dbraw/zinc/96/26/41/524962641.db2.gz MOEKBJRHOPXSPC-QZTJIDSGSA-N 1 0 356.470 1.990 20 70 FDIDRO O=C(Cc1ccc2c(c1)OCO2)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160752381 524965330 /nfs/dbraw/zinc/96/53/30/524965330.db2.gz YUZJXTXGMGBFHN-SJORKVTESA-N 1 0 360.454 1.842 20 70 FDIDRO C[NH+](C)CCN1C[C@@H](C(=O)NCCc2csc(C(C)(C)C)n2)CC1=O ZINC000160765231 524967153 /nfs/dbraw/zinc/96/71/53/524967153.db2.gz YLFSTJVVXHDBLH-ZDUSSCGKSA-N 1 0 366.531 1.509 20 70 FDIDRO CC1CC[NH+](C[C@H](O)CNC(=O)CCc2nc(C3CCCC3)no2)CC1 ZINC000160775433 524968431 /nfs/dbraw/zinc/96/84/31/524968431.db2.gz UTDAJYUOEUZVNN-MRXNPFEDSA-N 1 0 364.490 1.869 20 70 FDIDRO CCC[N@H+](CC)CCNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000160793502 524972987 /nfs/dbraw/zinc/97/29/87/524972987.db2.gz LIPXVQAXESIQDO-CYBMUJFWSA-N 1 0 357.480 1.096 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NC[C@@H](C)Cn2cccn2)CC[N@@H+]1CCOC ZINC000160829988 524979326 /nfs/dbraw/zinc/97/93/26/524979326.db2.gz SILHAOOZAOTRBL-IAGOWNOFSA-N 1 0 351.495 1.662 20 70 FDIDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000160859611 524984659 /nfs/dbraw/zinc/98/46/59/524984659.db2.gz KRKNMZNWRPWSMB-UONOGXRCSA-N 1 0 369.491 1.239 20 70 FDIDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)COc2ccc3c(c2)CCCC3)C1 ZINC000160866044 524985044 /nfs/dbraw/zinc/98/50/44/524985044.db2.gz VLZSYRBVWLNDFB-SFHVURJKSA-N 1 0 373.497 1.648 20 70 FDIDRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000161019547 525015908 /nfs/dbraw/zinc/01/59/08/525015908.db2.gz CVMZTGKPUJXJFE-MRXNPFEDSA-N 1 0 359.536 1.429 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2)CC1 ZINC000161014309 525016461 /nfs/dbraw/zinc/01/64/61/525016461.db2.gz FZSWOCGBMZWNPQ-AWEZNQCLSA-N 1 0 353.488 1.202 20 70 FDIDRO Cn1cnc2cc(C(=O)NC[C@@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)cnc21 ZINC000161013801 525017302 /nfs/dbraw/zinc/01/73/02/525017302.db2.gz CSLQSWHVQRPTTE-IRXDYDNUSA-N 1 0 365.437 1.334 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCO2)CC1 ZINC000161106389 525034490 /nfs/dbraw/zinc/03/44/90/525034490.db2.gz YJIKXBPDKXKSCM-SJORKVTESA-N 1 0 351.491 1.395 20 70 FDIDRO COCC[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000161155611 525046785 /nfs/dbraw/zinc/04/67/85/525046785.db2.gz OJSBNOWCWXLVPU-INIZCTEOSA-N 1 0 374.547 1.407 20 70 FDIDRO Cc1conc1NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000161166063 525048828 /nfs/dbraw/zinc/04/88/28/525048828.db2.gz NCPPNEUXMNRUSA-UHFFFAOYSA-N 1 0 366.487 1.789 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cnn1-c1ccccc1 ZINC000161249578 525065085 /nfs/dbraw/zinc/06/50/85/525065085.db2.gz WKPKCEKVKYZBKN-KRWDZBQOSA-N 1 0 355.442 1.576 20 70 FDIDRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1 ZINC000161260407 525067064 /nfs/dbraw/zinc/06/70/64/525067064.db2.gz QEBONASBCDEXKK-NWDGAFQWSA-N 1 0 353.825 1.900 20 70 FDIDRO CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000161257097 525067266 /nfs/dbraw/zinc/06/72/66/525067266.db2.gz IXPDUCLKGZQPCE-YJBOKZPZSA-N 1 0 361.486 1.670 20 70 FDIDRO COc1cccc([C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)[NH+](C)C)c1 ZINC000161300948 525076378 /nfs/dbraw/zinc/07/63/78/525076378.db2.gz DERRYZUKPNULBC-INIZCTEOSA-N 1 0 358.442 1.438 20 70 FDIDRO CN1CC[C@H](NC(=O)C2(NC(N)=O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000161342372 525084719 /nfs/dbraw/zinc/08/47/19/525084719.db2.gz LMZGHYMGNZCDRD-STQMWFEESA-N 1 0 354.813 1.541 20 70 FDIDRO Cc1c(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cnn1CC(C)C ZINC000161375247 525096064 /nfs/dbraw/zinc/09/60/64/525096064.db2.gz YZHSSJOXDRVGPY-UHFFFAOYSA-N 1 0 361.490 1.228 20 70 FDIDRO C[C@H]1C[NH+](CCCNC(=O)CCCNC(=O)c2cccnc2)C[C@H](C)O1 ZINC000161407069 525100810 /nfs/dbraw/zinc/10/08/10/525100810.db2.gz LEYZVPWRIRLRGM-HOTGVXAUSA-N 1 0 362.474 1.207 20 70 FDIDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000161451575 525112258 /nfs/dbraw/zinc/11/22/58/525112258.db2.gz HAHZXCQYMRLJPX-INIZCTEOSA-N 1 0 360.462 1.960 20 70 FDIDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000161451695 525112925 /nfs/dbraw/zinc/11/29/25/525112925.db2.gz HAHZXCQYMRLJPX-MRXNPFEDSA-N 1 0 360.462 1.960 20 70 FDIDRO Cc1ccc(Br)cc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161476838 525115974 /nfs/dbraw/zinc/11/59/74/525115974.db2.gz ZGHUTWNAPMQGNP-ZDUSSCGKSA-N 1 0 365.293 1.348 20 70 FDIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161480139 525116752 /nfs/dbraw/zinc/11/67/52/525116752.db2.gz WSHJAKKFRLIJQQ-KGLIPLIRSA-N 1 0 355.504 1.892 20 70 FDIDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccccc1CS(C)(=O)=O ZINC000159451239 173678175 /nfs/dbraw/zinc/67/81/75/173678175.db2.gz HKYHNYIPHOZGHE-UHFFFAOYSA-N 1 0 355.504 1.713 20 70 FDIDRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000160183763 173701821 /nfs/dbraw/zinc/70/18/21/173701821.db2.gz USMKRGFJTWMAMR-OAHLLOKOSA-N 1 0 351.472 1.280 20 70 FDIDRO O=C(Cc1c[nH]c2ncccc12)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160745291 173720270 /nfs/dbraw/zinc/72/02/70/173720270.db2.gz MOEKBJRHOPXSPC-MSOLQXFVSA-N 1 0 356.470 1.990 20 70 FDIDRO Cc1c(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)nnn1C1CC[NH2+]CC1 ZINC000161121456 173730717 /nfs/dbraw/zinc/73/07/17/173730717.db2.gz DFFXHYPATHCFGU-GFCCVEGCSA-N 1 0 361.421 1.847 20 70 FDIDRO C[C@H](CCNC(=O)NCC1(CO)CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000159371831 524655816 /nfs/dbraw/zinc/65/58/16/524655816.db2.gz JENLOODBSSEHMQ-QGZVFWFLSA-N 1 0 363.502 1.985 20 70 FDIDRO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159396185 524659510 /nfs/dbraw/zinc/65/95/10/524659510.db2.gz DBYVHMKPNFALOX-MAUKXSAKSA-N 1 0 364.534 1.580 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)C1 ZINC000159420552 524665150 /nfs/dbraw/zinc/66/51/50/524665150.db2.gz ONWKCJVWAVEQHL-CYBMUJFWSA-N 1 0 358.442 1.214 20 70 FDIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2ccn(-c3ccccc3)n2)CC1 ZINC000159427885 524668411 /nfs/dbraw/zinc/66/84/11/524668411.db2.gz QVJSWHZPSGJNAC-IBGZPJMESA-N 1 0 353.470 1.786 20 70 FDIDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000159448147 524673028 /nfs/dbraw/zinc/67/30/28/524673028.db2.gz YYZLCMWZCBSXSY-INIZCTEOSA-N 1 0 363.487 1.561 20 70 FDIDRO COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)[C@H](C)[NH3+])cc1 ZINC000159454422 524673667 /nfs/dbraw/zinc/67/36/67/524673667.db2.gz HFCXZEKBSRDOKG-AWEZNQCLSA-N 1 0 355.438 1.978 20 70 FDIDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC(N3CCCNC3=O)CC2)C1 ZINC000159455479 524674559 /nfs/dbraw/zinc/67/45/59/524674559.db2.gz PKTNTPOADKBMFT-GOEBONIOSA-N 1 0 351.495 1.449 20 70 FDIDRO Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3CCNS(C)(=O)=O)n2c1 ZINC000159470316 524679649 /nfs/dbraw/zinc/67/96/49/524679649.db2.gz SZZFSQPZEBUJRL-OAHLLOKOSA-N 1 0 350.488 1.937 20 70 FDIDRO CNC(=O)[C@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000159520128 524689330 /nfs/dbraw/zinc/68/93/30/524689330.db2.gz VNLOLPWTMAGWKC-GOSISDBHSA-N 1 0 374.485 1.063 20 70 FDIDRO C[NH+]1CCN(Cc2cccc(C(=O)NC[C@@H](O)c3ccsc3)c2)CC1 ZINC000159558251 524697554 /nfs/dbraw/zinc/69/75/54/524697554.db2.gz VQEDSKMPTZWOLY-GOSISDBHSA-N 1 0 359.495 1.959 20 70 FDIDRO O=C(c1cc(-n2cccn2)ccn1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000159587024 524702538 /nfs/dbraw/zinc/70/25/38/524702538.db2.gz QFZPDULDWWKJSB-SFHVURJKSA-N 1 0 369.469 1.984 20 70 FDIDRO C[C@H]1C[C@@H](NC(=O)NCC2(CO)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000159613148 524708686 /nfs/dbraw/zinc/70/86/86/524708686.db2.gz FGBKXBGCCGMYRR-FUHWJXTLSA-N 1 0 361.486 1.738 20 70 FDIDRO Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1-n1cnnn1 ZINC000159612773 524709281 /nfs/dbraw/zinc/70/92/81/524709281.db2.gz KYUIPCUCOBZLMV-GOEBONIOSA-N 1 0 355.446 1.919 20 70 FDIDRO Cc1csc(-c2cccc(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)c2)n1 ZINC000159680212 524718719 /nfs/dbraw/zinc/71/87/19/524718719.db2.gz JRZXKFAQOFCYNP-UHFFFAOYSA-N 1 0 372.494 1.965 20 70 FDIDRO CC[C@@H](CO)[NH+]1CCN([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000159741565 524729414 /nfs/dbraw/zinc/72/94/14/524729414.db2.gz JCYJVLYPZXJBNN-SUMWQHHRSA-N 1 0 369.868 1.973 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000159732074 524729448 /nfs/dbraw/zinc/72/94/48/524729448.db2.gz MAVBDKDXHOCTLF-CQSZACIVSA-N 1 0 368.503 1.393 20 70 FDIDRO C[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)C[C@H]1CCC[C@@H]1O ZINC000159741999 524729540 /nfs/dbraw/zinc/72/95/40/524729540.db2.gz QZXQJXQEYCXTPX-MJGOQNOKSA-N 1 0 360.498 1.944 20 70 FDIDRO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000159765576 524735687 /nfs/dbraw/zinc/73/56/87/524735687.db2.gz HFSJODPDFRHITN-IRXDYDNUSA-N 1 0 353.507 1.185 20 70 FDIDRO Cn1cnc2cc(C(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)cnc21 ZINC000159814670 524745558 /nfs/dbraw/zinc/74/55/58/524745558.db2.gz FXQNGLIZNMEBQR-MRXNPFEDSA-N 1 0 356.474 1.210 20 70 FDIDRO CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000159818017 524745904 /nfs/dbraw/zinc/74/59/04/524745904.db2.gz NTBQUPOHEWQXSK-APWZRJJASA-N 1 0 373.497 1.829 20 70 FDIDRO CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159883490 524760012 /nfs/dbraw/zinc/76/00/12/524760012.db2.gz YVOVDZUYJDVLJI-IYBDPMFKSA-N 1 0 365.499 1.684 20 70 FDIDRO CC(C)CCn1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)n1 ZINC000159892075 524762262 /nfs/dbraw/zinc/76/22/62/524762262.db2.gz UUJQRVGTQVDEJS-UHFFFAOYSA-N 1 0 365.478 1.095 20 70 FDIDRO COCC[NH+]1CCC(NC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)CC1 ZINC000159927897 524768260 /nfs/dbraw/zinc/76/82/60/524768260.db2.gz QJIWENBJHWTGJI-UHFFFAOYSA-N 1 0 362.474 1.682 20 70 FDIDRO C[C@H]1C[C@@H](NC(=O)N2CCN3C(=O)NC[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000160189991 524827156 /nfs/dbraw/zinc/82/71/56/524827156.db2.gz OKUUMBVQDOKCIG-USXIJHARSA-N 1 0 357.458 1.068 20 70 FDIDRO CC(C)Cn1ncc2cc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cnc21 ZINC000160211851 524833783 /nfs/dbraw/zinc/83/37/83/524833783.db2.gz MGSGHVRTDGMJLJ-KRWDZBQOSA-N 1 0 359.474 1.664 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000160233433 524836958 /nfs/dbraw/zinc/83/69/58/524836958.db2.gz HGLXEXCHQDWPKW-ROUUACIJSA-N 1 0 374.485 1.039 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Nc2cnccn2)c1 ZINC000160262211 524843615 /nfs/dbraw/zinc/84/36/15/524843615.db2.gz GVCVGVXVXVMINP-QGZVFWFLSA-N 1 0 355.442 1.797 20 70 FDIDRO [NH3+][C@@H]1CCN(C(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)C1 ZINC000160273497 524846446 /nfs/dbraw/zinc/84/64/46/524846446.db2.gz BDDNTTHOOIBVPQ-CQSZACIVSA-N 1 0 369.462 1.367 20 70 FDIDRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCCC1 ZINC000160298010 524851165 /nfs/dbraw/zinc/85/11/65/524851165.db2.gz SRGOQRCTJVFRMQ-QGZVFWFLSA-N 1 0 367.453 1.891 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000160295667 524852278 /nfs/dbraw/zinc/85/22/78/524852278.db2.gz FXSJWCXNZJKEIV-HOTGVXAUSA-N 1 0 363.458 1.237 20 70 FDIDRO NC(=O)NC1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000160315628 524855745 /nfs/dbraw/zinc/85/57/45/524855745.db2.gz QHCGXHUZJJUETD-AWEZNQCLSA-N 1 0 350.850 1.794 20 70 FDIDRO CCN(C(=O)N[C@@H]1CCc2ncnn2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160330033 524858276 /nfs/dbraw/zinc/85/82/76/524858276.db2.gz LSQHKTZSADTUIC-MSOLQXFVSA-N 1 0 368.485 1.899 20 70 FDIDRO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160368262 524868940 /nfs/dbraw/zinc/86/89/40/524868940.db2.gz VXIIAOOLPNFARR-LLVKDONJSA-N 1 0 370.379 1.642 20 70 FDIDRO CCC[NH+]1CCC(NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000160414185 524883179 /nfs/dbraw/zinc/88/31/79/524883179.db2.gz RZBSSTTWUBWIDS-IBGZPJMESA-N 1 0 358.442 1.345 20 70 FDIDRO CC(=O)N[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(F)cc1F ZINC000160421567 524885897 /nfs/dbraw/zinc/88/58/97/524885897.db2.gz RRMYGHZSOHTCJJ-JKIFEVAISA-N 1 0 351.397 1.885 20 70 FDIDRO CNC(=O)CN1CCC(NC(=O)N2CCO[C@@H](c3ccsc3)C2)CC1 ZINC000160449935 524892215 /nfs/dbraw/zinc/89/22/15/524892215.db2.gz ABAUUQXZQMBGAE-OAHLLOKOSA-N 1 0 366.487 1.041 20 70 FDIDRO COc1ccccc1OCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160453604 524892814 /nfs/dbraw/zinc/89/28/14/524892814.db2.gz DOEXBZDWXDZAIO-SJORKVTESA-N 1 0 362.470 1.958 20 70 FDIDRO CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)o1 ZINC000160484551 524900430 /nfs/dbraw/zinc/90/04/30/524900430.db2.gz HXPDDVOHYJHTOY-TXEJJXNPSA-N 1 0 355.460 1.323 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cccn3c(I)cnc23)C1 ZINC000160504736 524904213 /nfs/dbraw/zinc/90/42/13/524904213.db2.gz LMXRQRXZMLFAHY-SECBINFHSA-N 1 0 370.194 1.373 20 70 FDIDRO O=C(CC[C@@H]1Cc2ccccc2NC1=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160524930 524908813 /nfs/dbraw/zinc/90/88/13/524908813.db2.gz SQHODWJISNHTSG-IAGOWNOFSA-N 1 0 359.470 1.541 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000160546079 524912484 /nfs/dbraw/zinc/91/24/84/524912484.db2.gz JGKLLTYUJUQZHE-UHFFFAOYSA-N 1 0 355.504 1.606 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000160564114 524917333 /nfs/dbraw/zinc/91/73/33/524917333.db2.gz YMBOOMVLCBIHME-SUMWQHHRSA-N 1 0 367.396 1.421 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000160564249 524917354 /nfs/dbraw/zinc/91/73/54/524917354.db2.gz YMBOOMVLCBIHME-DYVFJYSZSA-N 1 0 367.396 1.421 20 70 FDIDRO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160574908 524917821 /nfs/dbraw/zinc/91/78/21/524917821.db2.gz RWIJVOHTKZWWHI-CQSZACIVSA-N 1 0 371.503 1.689 20 70 FDIDRO CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160572405 524918868 /nfs/dbraw/zinc/91/88/68/524918868.db2.gz ODHSNOQBGBHUIO-HOCLYGCPSA-N 1 0 367.515 1.466 20 70 FDIDRO Cc1nc(N2CCOCC2)ccc1NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000160586266 524922044 /nfs/dbraw/zinc/92/20/44/524922044.db2.gz OQZLYJVJYRGORA-CQSZACIVSA-N 1 0 350.488 1.602 20 70 FDIDRO COCC[NH+]1CCC(NC(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 ZINC000160603486 524926502 /nfs/dbraw/zinc/92/65/02/524926502.db2.gz BEQFTGYNLCALIN-UHFFFAOYSA-N 1 0 358.446 1.714 20 70 FDIDRO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160669338 524945679 /nfs/dbraw/zinc/94/56/79/524945679.db2.gz XYGYRKXEVPJXLI-ROUUACIJSA-N 1 0 358.486 1.469 20 70 FDIDRO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160668965 524945888 /nfs/dbraw/zinc/94/58/88/524945888.db2.gz XYGYRKXEVPJXLI-QZTJIDSGSA-N 1 0 358.486 1.469 20 70 FDIDRO O=C(NCCCC[NH+]1CCOCC1)c1ccnc(OCC(F)(F)F)c1 ZINC000160681533 524947910 /nfs/dbraw/zinc/94/79/10/524947910.db2.gz IQRUISZTWPKRLB-UHFFFAOYSA-N 1 0 361.364 1.865 20 70 FDIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000160730586 524958968 /nfs/dbraw/zinc/95/89/68/524958968.db2.gz YEKJVVXDNNBNCJ-ROUUACIJSA-N 1 0 356.470 1.744 20 70 FDIDRO Cc1cc(C)c(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(=O)[nH]1 ZINC000160780910 524969270 /nfs/dbraw/zinc/96/92/70/524969270.db2.gz IZIYCLLBSOLTKH-SJORKVTESA-N 1 0 355.438 1.357 20 70 FDIDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2coc(S(=O)(=O)N(C)C)c2)C1 ZINC000160852943 524983359 /nfs/dbraw/zinc/98/33/59/524983359.db2.gz NRNAONYGYLFIRO-CQSZACIVSA-N 1 0 371.503 1.628 20 70 FDIDRO Cc1ccc(F)c(OCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000160865881 524984993 /nfs/dbraw/zinc/98/49/93/524984993.db2.gz YFODYZYSCMUJLZ-CQSZACIVSA-N 1 0 351.422 1.217 20 70 FDIDRO COC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000160909634 524994455 /nfs/dbraw/zinc/99/44/55/524994455.db2.gz NYKUGUSSKAHRGF-CMPLNLGQSA-N 1 0 365.211 1.655 20 70 FDIDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)CCC(=O)OCc1ccccc1)C2 ZINC000160927042 524998148 /nfs/dbraw/zinc/99/81/48/524998148.db2.gz MZFZATBMRHIILW-DLBZAZTESA-N 1 0 366.483 1.618 20 70 FDIDRO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000160945114 525000815 /nfs/dbraw/zinc/00/08/15/525000815.db2.gz LBYYYVMNCLFQMZ-HRCADAONSA-N 1 0 361.486 1.892 20 70 FDIDRO CCS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160959429 525003793 /nfs/dbraw/zinc/00/37/93/525003793.db2.gz AAHFNTXECBJVFM-INIZCTEOSA-N 1 0 374.551 1.174 20 70 FDIDRO CCOCCN1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160973834 525006120 /nfs/dbraw/zinc/00/61/20/525006120.db2.gz ZNUMVKNUSWGOBJ-SFHVURJKSA-N 1 0 354.539 1.861 20 70 FDIDRO COCc1nc2n(n1)C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)CC2 ZINC000161052726 525025018 /nfs/dbraw/zinc/02/50/18/525025018.db2.gz NYKQYPUAWDEETC-OAHLLOKOSA-N 1 0 364.494 1.351 20 70 FDIDRO CCOC(=O)c1c(C)oc2nc(CN(C)CC[NH+]3CCCC3)nc(N)c21 ZINC000161086719 525030915 /nfs/dbraw/zinc/03/09/15/525030915.db2.gz WIBGJEQKTCZBEF-UHFFFAOYSA-N 1 0 361.446 1.818 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)NC(=O)c2[nH]nc3ccccc32)CC1 ZINC000161143069 525042222 /nfs/dbraw/zinc/04/22/22/525042222.db2.gz PMPRAFRNZLOEEW-ZDUSSCGKSA-N 1 0 357.458 1.529 20 70 FDIDRO CC(=O)N[C@@H](CC(=O)NC[C@H](C1CC1)[NH+](C)C)c1ccc(F)cc1F ZINC000161161564 525045327 /nfs/dbraw/zinc/04/53/27/525045327.db2.gz JKFVKWZXKRZXQA-DLBZAZTESA-N 1 0 353.413 1.989 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000161163930 525046029 /nfs/dbraw/zinc/04/60/29/525046029.db2.gz UEHTZJRHVUJFCG-GFCCVEGCSA-N 1 0 359.879 1.414 20 70 FDIDRO CCN(CCOc1ccc(Br)cc1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000161227333 525061043 /nfs/dbraw/zinc/06/10/43/525061043.db2.gz FPTUTGMTSUSZOK-CQSZACIVSA-N 1 0 357.248 1.665 20 70 FDIDRO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000161250787 525063751 /nfs/dbraw/zinc/06/37/51/525063751.db2.gz PQHFYANBYACUBA-SFHVURJKSA-N 1 0 369.469 1.884 20 70 FDIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C ZINC000161246228 525065257 /nfs/dbraw/zinc/06/52/57/525065257.db2.gz NTEIJTVFFZIRGC-CQSZACIVSA-N 1 0 373.432 1.859 20 70 FDIDRO CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000161256456 525066796 /nfs/dbraw/zinc/06/67/96/525066796.db2.gz IFLPPFKSDNOERB-SJLPKXTDSA-N 1 0 373.497 1.687 20 70 FDIDRO Cc1noc(C)c1S(=O)(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000161258554 525067430 /nfs/dbraw/zinc/06/74/30/525067430.db2.gz JGNHPNDGDKQSBS-KBPBESRZSA-N 1 0 370.519 1.471 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)cc1 ZINC000161294361 525074703 /nfs/dbraw/zinc/07/47/03/525074703.db2.gz UPBHBGLZQFFFHY-SFHVURJKSA-N 1 0 365.499 1.218 20 70 FDIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cccc(Cl)c1F ZINC000161308648 525078151 /nfs/dbraw/zinc/07/81/51/525078151.db2.gz YHAIPLAQVROQNS-UHFFFAOYSA-N 1 0 368.858 1.040 20 70 FDIDRO CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)C1 ZINC000161398673 525101556 /nfs/dbraw/zinc/10/15/56/525101556.db2.gz BXVWDOPDXUCVDW-KRWDZBQOSA-N 1 0 374.485 1.594 20 70 FDIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1cc(F)c(F)cc1F ZINC000161409663 525102453 /nfs/dbraw/zinc/10/24/53/525102453.db2.gz QFEPDQRREWDBCB-UHFFFAOYSA-N 1 0 352.378 1.087 20 70 FDIDRO COc1cc(Cl)c(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1Cl ZINC000161415027 525105177 /nfs/dbraw/zinc/10/51/77/525105177.db2.gz DQTGBBQXPVAQTO-ZDUSSCGKSA-N 1 0 371.286 1.593 20 70 FDIDRO Cc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c(Br)c1 ZINC000161433872 525108825 /nfs/dbraw/zinc/10/88/25/525108825.db2.gz ACWZMCAPSQLFTL-ZDUSSCGKSA-N 1 0 365.293 1.348 20 70 FDIDRO C[NH+](C)CCN1C[C@H](C(=O)N2CCO[C@@H](c3cccs3)C2)CC1=O ZINC000161495872 525117096 /nfs/dbraw/zinc/11/70/96/525117096.db2.gz KJZMIUJQASCQSN-ZIAGYGMSSA-N 1 0 351.472 1.058 20 70 FDIDRO Cc1ccc([C@@H](CNC(=O)CN2CCC(=O)NC2=O)[NH+]2CCCC2)cc1 ZINC000216966451 537452121 /nfs/dbraw/zinc/45/21/21/537452121.db2.gz FLTDDBYJVGYFOY-MRXNPFEDSA-N 1 0 358.442 1.190 20 70 FDIDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000160408041 173710105 /nfs/dbraw/zinc/71/01/05/173710105.db2.gz OZBHJNVJCRRWNH-BSEYFRJRSA-N 1 0 351.516 1.627 20 70 FDIDRO CC(C)(C)CC(=O)NCC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000159369739 524653283 /nfs/dbraw/zinc/65/32/83/524653283.db2.gz GNXKNFVXVYGIBJ-QGZVFWFLSA-N 1 0 361.486 1.074 20 70 FDIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000159382177 524658424 /nfs/dbraw/zinc/65/84/24/524658424.db2.gz HOSSZBKBDBTYSE-AWEZNQCLSA-N 1 0 361.471 1.712 20 70 FDIDRO Cc1ccn2c(C[N@@H+]3CCCC[C@H]3CCNS(C)(=O)=O)cnc2c1 ZINC000159406841 524661328 /nfs/dbraw/zinc/66/13/28/524661328.db2.gz YZLZEGVCPWDRJK-HNNXBMFYSA-N 1 0 350.488 1.937 20 70 FDIDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000159406090 524662847 /nfs/dbraw/zinc/66/28/47/524662847.db2.gz VQJBGCDGMHNESQ-QGZVFWFLSA-N 1 0 366.531 1.976 20 70 FDIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159412677 524663827 /nfs/dbraw/zinc/66/38/27/524663827.db2.gz XGQPPRKADBXMPL-VXGBXAGGSA-N 1 0 374.407 1.760 20 70 FDIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000159422261 524666669 /nfs/dbraw/zinc/66/66/69/524666669.db2.gz JQYHQTMPGSVWDI-MRXNPFEDSA-N 1 0 373.432 1.790 20 70 FDIDRO Cc1nc2cc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)ccc2n1C ZINC000159463837 524677125 /nfs/dbraw/zinc/67/71/25/524677125.db2.gz SIWBPFDNLNHEPZ-HNNXBMFYSA-N 1 0 371.485 1.914 20 70 FDIDRO CC(C)CC(=O)NCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000159533683 524691692 /nfs/dbraw/zinc/69/16/92/524691692.db2.gz KDHJBGQGNKTKAD-UHFFFAOYSA-N 1 0 361.490 1.002 20 70 FDIDRO CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159547785 524694351 /nfs/dbraw/zinc/69/43/51/524694351.db2.gz CUAFNQRUGOXJHT-BMFZPTHFSA-N 1 0 365.499 1.730 20 70 FDIDRO CCC(CC)[C@H](CNC(=O)N1CCC[N@H+](CC)CC1)N1CCOCC1 ZINC000159582880 524701333 /nfs/dbraw/zinc/70/13/33/524701333.db2.gz LPFJJQFQRTYLHO-SFHVURJKSA-N 1 0 354.539 1.861 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000159676193 524719127 /nfs/dbraw/zinc/71/91/27/524719127.db2.gz LTIJCYCGIZWGRW-RTBURBONSA-N 1 0 361.486 1.910 20 70 FDIDRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000159797330 524741361 /nfs/dbraw/zinc/74/13/61/524741361.db2.gz FHUAGWFJIQIWTD-HOTGVXAUSA-N 1 0 367.515 1.880 20 70 FDIDRO C[N@@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@@H]1CCC[C@@H]1O ZINC000159830909 524749296 /nfs/dbraw/zinc/74/92/96/524749296.db2.gz OGIVMIGEDOAPOW-IDHTWPPDSA-N 1 0 363.502 1.874 20 70 FDIDRO Cn1cnc2cc(C(=O)Nc3cc(C(N)=O)ccc3C[NH+](C)C)cnc21 ZINC000159872334 524758452 /nfs/dbraw/zinc/75/84/52/524758452.db2.gz MEJYYVNCRVNHGH-UHFFFAOYSA-N 1 0 352.398 1.381 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)CC1 ZINC000159898798 524761359 /nfs/dbraw/zinc/76/13/59/524761359.db2.gz KBEDLFDDBNCRLS-LJQANCHMSA-N 1 0 373.545 1.934 20 70 FDIDRO Cc1cccc([C@@H]2CCCN2CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000159904138 524764518 /nfs/dbraw/zinc/76/45/18/524764518.db2.gz AVBXSWKETMSPJQ-QUCCMNQESA-N 1 0 374.529 2.000 20 70 FDIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(F)cc1Br ZINC000159928738 524770985 /nfs/dbraw/zinc/77/09/85/524770985.db2.gz WCYRWJSGGXQTPB-LLVKDONJSA-N 1 0 351.241 1.946 20 70 FDIDRO C[C@]1(C(=O)NC[C@H](O)C[NH+]2CCCCC2)CCCN1C(=O)c1ccccc1 ZINC000159932467 524772037 /nfs/dbraw/zinc/77/20/37/524772037.db2.gz HEYCPHHCTVZZFQ-GHTZIAJQSA-N 1 0 373.497 1.644 20 70 FDIDRO COCCN1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159944639 524773737 /nfs/dbraw/zinc/77/37/37/524773737.db2.gz IVTOHNFBPDLYSH-HKUYNNGSSA-N 1 0 360.502 1.481 20 70 FDIDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(S(N)(=O)=O)cc(C)c1C ZINC000160001994 524787418 /nfs/dbraw/zinc/78/74/18/524787418.db2.gz JFFWWXPHMPHGFK-AWEZNQCLSA-N 1 0 353.488 1.507 20 70 FDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@]1(CCO)CCOC1 ZINC000160003856 524788067 /nfs/dbraw/zinc/78/80/67/524788067.db2.gz SRTXDLBJYFBBOI-KPFFTGBYSA-N 1 0 361.486 1.595 20 70 FDIDRO O=C(COc1ccccc1Br)NCC1CC[NH+](CCO)CC1 ZINC000160007872 524788208 /nfs/dbraw/zinc/78/82/08/524788208.db2.gz SIMFDBRBPBXVLY-UHFFFAOYSA-N 1 0 371.275 1.648 20 70 FDIDRO CN(C)C(=O)CN1CCCN(C(=O)[C@]2(C)CCCc3ccccc32)CC1 ZINC000160031686 524791704 /nfs/dbraw/zinc/79/17/04/524791704.db2.gz BMOMTDIMVGLOPC-OAQYLSRUSA-N 1 0 357.498 1.903 20 70 FDIDRO O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@@H]1CCC[NH2+]C1 ZINC000160085977 524806240 /nfs/dbraw/zinc/80/62/40/524806240.db2.gz SYEGCYPGQHOYDX-RISCZKNCSA-N 1 0 355.360 1.927 20 70 FDIDRO Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160137591 524816507 /nfs/dbraw/zinc/81/65/07/524816507.db2.gz MQARYTAXWWPDHE-RBUKOAKNSA-N 1 0 373.497 1.449 20 70 FDIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000160131521 524817310 /nfs/dbraw/zinc/81/73/10/524817310.db2.gz FQOILHCDGPFSDI-DZGCQCFKSA-N 1 0 369.462 1.176 20 70 FDIDRO Cc1cc(S(N)(=O)=O)cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000160140622 524817655 /nfs/dbraw/zinc/81/76/55/524817655.db2.gz FUOACZODVXDHPQ-ZDUSSCGKSA-N 1 0 351.472 1.165 20 70 FDIDRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)Nc2nocc2C)cc1 ZINC000160159256 524820314 /nfs/dbraw/zinc/82/03/14/524820314.db2.gz MSGOCAVNTMBUGA-UHFFFAOYSA-N 1 0 374.441 1.959 20 70 FDIDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1nocc1C)Cc1ccccc1 ZINC000160168099 524822830 /nfs/dbraw/zinc/82/28/30/524822830.db2.gz XPQYRIKKBYYTJG-MRXNPFEDSA-N 1 0 358.442 1.991 20 70 FDIDRO C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CCCN(c3ccccn3)C2)CC1 ZINC000160195243 524829228 /nfs/dbraw/zinc/82/92/28/524829228.db2.gz JAUFMVFSBOIPIF-SFHVURJKSA-N 1 0 374.533 1.376 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000160233275 524837255 /nfs/dbraw/zinc/83/72/55/524837255.db2.gz HGLXEXCHQDWPKW-ZWKOTPCHSA-N 1 0 374.485 1.039 20 70 FDIDRO COC(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160236823 524838260 /nfs/dbraw/zinc/83/82/60/524838260.db2.gz OYFXDRONLJISKF-MSOLQXFVSA-N 1 0 360.454 1.971 20 70 FDIDRO CNC(=O)c1cccc(CCC(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000160251621 524841651 /nfs/dbraw/zinc/84/16/51/524841651.db2.gz DANJNLAXSHEECS-UHFFFAOYSA-N 1 0 359.470 1.302 20 70 FDIDRO Cn1cnc2cc(C(=O)NCc3ccccc3OCC[NH+](C)C)cnc21 ZINC000160270974 524846293 /nfs/dbraw/zinc/84/62/93/524846293.db2.gz PVWKLCMVGJCZHW-UHFFFAOYSA-N 1 0 353.426 1.839 20 70 FDIDRO CN1C(=O)C[C@@H](C(=O)NCC2([NH+](C)C)CCOCC2)[C@@H]1c1cccs1 ZINC000160335051 524860073 /nfs/dbraw/zinc/86/00/73/524860073.db2.gz JKKXWUCTPKMCLW-CZUORRHYSA-N 1 0 365.499 1.495 20 70 FDIDRO CN(C[C@H]1CCC[C@H]1O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000160334201 524860350 /nfs/dbraw/zinc/86/03/50/524860350.db2.gz IBZDQKCIOQYBJN-CRAIPNDOSA-N 1 0 352.523 1.347 20 70 FDIDRO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cnn1-c1ccc(F)cc1 ZINC000160351697 524864275 /nfs/dbraw/zinc/86/42/75/524864275.db2.gz YNNUJMOQVZXZSI-QGZVFWFLSA-N 1 0 360.433 1.896 20 70 FDIDRO CCN(CC)C(=O)N1CCC(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000160353560 524864832 /nfs/dbraw/zinc/86/48/32/524864832.db2.gz VSRUTBIGQRWYHF-QGZVFWFLSA-N 1 0 368.522 1.123 20 70 FDIDRO CO[C@@]1(C[NH2+]C[C@H](O)COc2cccc(Br)c2)CCOC1 ZINC000160350539 524865000 /nfs/dbraw/zinc/86/50/00/524865000.db2.gz XEETUAYQKCEMSY-DZGCQCFKSA-N 1 0 360.248 1.584 20 70 FDIDRO O=C(Cc1ccn(-c2ccc(F)cc2)n1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160359781 524868879 /nfs/dbraw/zinc/86/88/79/524868879.db2.gz KZIAYDCQOWGVPR-SFHVURJKSA-N 1 0 360.433 1.517 20 70 FDIDRO O=C(CCCNC(=O)c1ccc(F)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160372893 524872685 /nfs/dbraw/zinc/87/26/85/524872685.db2.gz XFXQHDQKLWEVJR-QGZVFWFLSA-N 1 0 365.449 1.299 20 70 FDIDRO O=C(COc1ccc2ccc(=O)oc2c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160408397 524880932 /nfs/dbraw/zinc/88/09/32/524880932.db2.gz WYKUNJBTJGIWDG-OAHLLOKOSA-N 1 0 360.410 1.135 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)c1CC ZINC000160424303 524885510 /nfs/dbraw/zinc/88/55/10/524885510.db2.gz RVKBAASIUOCDQU-KGLIPLIRSA-N 1 0 361.490 1.663 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)CCNS(=O)(=O)c1cc(C)ccc1C ZINC000160428724 524886974 /nfs/dbraw/zinc/88/69/74/524886974.db2.gz KEEYIPJTKALPSE-UHFFFAOYSA-N 1 0 355.504 1.606 20 70 FDIDRO C[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)NC(=O)C1CCCCC1 ZINC000160511100 524905754 /nfs/dbraw/zinc/90/57/54/524905754.db2.gz GORMNUTVRHRIML-RDJZCZTQSA-N 1 0 353.507 1.425 20 70 FDIDRO CCS(=O)(=O)NCc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000160570661 524917675 /nfs/dbraw/zinc/91/76/75/524917675.db2.gz MWNURZKVKODBSA-UHFFFAOYSA-N 1 0 353.488 1.342 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000160594943 524925054 /nfs/dbraw/zinc/92/50/54/524925054.db2.gz GVADSCGHCGIXFL-UHFFFAOYSA-N 1 0 362.861 1.960 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccc(OCC(F)(F)F)n1 ZINC000160607579 524927141 /nfs/dbraw/zinc/92/71/41/524927141.db2.gz VZNQJVCURNKPJX-UHFFFAOYSA-N 1 0 361.364 1.457 20 70 FDIDRO O=C(Cc1ccc2c(c1)OCCO2)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160666272 524942829 /nfs/dbraw/zinc/94/28/29/524942829.db2.gz WUXCKQFAGDTYSI-MSOLQXFVSA-N 1 0 374.481 1.884 20 70 FDIDRO COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H]([NH+]3CCCC3)C1)CC2 ZINC000160675001 524944796 /nfs/dbraw/zinc/94/47/96/524944796.db2.gz XIBGWXYLEJYADY-GJZGRUSLSA-N 1 0 362.478 1.009 20 70 FDIDRO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160735197 524960214 /nfs/dbraw/zinc/96/02/14/524960214.db2.gz BFWVALRWFUANNH-IRXDYDNUSA-N 1 0 350.507 1.665 20 70 FDIDRO Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)nc(-c2ccncc2)n1 ZINC000160794434 524973280 /nfs/dbraw/zinc/97/32/80/524973280.db2.gz DPJAQCQAFYQYMG-QGZVFWFLSA-N 1 0 366.469 1.766 20 70 FDIDRO COc1cc(Cl)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1OC ZINC000160819050 524977856 /nfs/dbraw/zinc/97/78/56/524977856.db2.gz CSZNLBZAFWXIKW-LBPRGKRZSA-N 1 0 356.850 1.934 20 70 FDIDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@@H](C)[C@H]3C)cn2)CC1 ZINC000160840232 524981948 /nfs/dbraw/zinc/98/19/48/524981948.db2.gz IPNQYHLPPISNPJ-CVEARBPZSA-N 1 0 361.490 1.542 20 70 FDIDRO CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC000160881712 524987601 /nfs/dbraw/zinc/98/76/01/524987601.db2.gz JIHLPIHQUAMIDS-MJGOQNOKSA-N 1 0 363.550 1.425 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000160920513 524996960 /nfs/dbraw/zinc/99/69/60/524996960.db2.gz BTMCIGWNXQZBLL-UHFFFAOYSA-N 1 0 366.462 1.443 20 70 FDIDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)CNC(=O)c3cccnc3)CC2)C[C@H](C)O1 ZINC000160914032 524997056 /nfs/dbraw/zinc/99/70/56/524997056.db2.gz ZOZQKEUXKZRGRF-IYBDPMFKSA-N 1 0 374.485 1.159 20 70 FDIDRO COC(=O)[C@@H](C)CS(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160964617 525003930 /nfs/dbraw/zinc/00/39/30/525003930.db2.gz KIDMZUUVIKKMKO-FHERZECASA-N 1 0 360.520 1.758 20 70 FDIDRO CCS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160959566 525005191 /nfs/dbraw/zinc/00/51/91/525005191.db2.gz AAHFNTXECBJVFM-MRXNPFEDSA-N 1 0 374.551 1.174 20 70 FDIDRO O=C(Nc1ccccc1)C1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000160992685 525011485 /nfs/dbraw/zinc/01/14/85/525011485.db2.gz GQXFSEAERPYACQ-OALUTQOASA-N 1 0 362.470 1.894 20 70 FDIDRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000161019686 525017723 /nfs/dbraw/zinc/01/77/23/525017723.db2.gz CVMZTGKPUJXJFE-INIZCTEOSA-N 1 0 359.536 1.429 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)CNC(=O)NCc2ccc(F)cc2)CC1 ZINC000161022154 525018568 /nfs/dbraw/zinc/01/85/68/525018568.db2.gz NMQZCANKMKFSJB-UHFFFAOYSA-N 1 0 350.438 1.473 20 70 FDIDRO CO[C@@H]1CCN(C(=O)c2ccccc2I)[C@H](C[NH3+])C1 ZINC000161059398 525023758 /nfs/dbraw/zinc/02/37/58/525023758.db2.gz BXLYFAHHNWGYEF-WDEREUQCSA-N 1 0 374.222 1.870 20 70 FDIDRO CNC(=O)COc1cccc(CC(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000161072836 525026043 /nfs/dbraw/zinc/02/60/43/525026043.db2.gz TUDXAUNUGZXESQ-UHFFFAOYSA-N 1 0 369.465 1.732 20 70 FDIDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2)C(C)C ZINC000161080362 525028479 /nfs/dbraw/zinc/02/84/79/525028479.db2.gz IFDWRGQNLXSMEL-UHFFFAOYSA-N 1 0 374.485 1.488 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000161103830 525034187 /nfs/dbraw/zinc/03/41/87/525034187.db2.gz JWKFUVLDONPWQG-UHFFFAOYSA-N 1 0 367.515 1.512 20 70 FDIDRO Cc1c(C(=O)NC[C@H](C)Oc2ccc(F)cc2)nnn1C1CC[NH2+]CC1 ZINC000161121560 525037685 /nfs/dbraw/zinc/03/76/85/525037685.db2.gz DFFXHYPATHCFGU-LBPRGKRZSA-N 1 0 361.421 1.847 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)NC(=O)c2[nH]nc3ccccc32)CC1 ZINC000161142946 525041085 /nfs/dbraw/zinc/04/10/85/525041085.db2.gz PMPRAFRNZLOEEW-CYBMUJFWSA-N 1 0 357.458 1.529 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000161223845 525058222 /nfs/dbraw/zinc/05/82/22/525058222.db2.gz NPKXMVLVZFERAZ-GXTWGEPZSA-N 1 0 365.861 1.912 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000161216810 525058565 /nfs/dbraw/zinc/05/85/65/525058565.db2.gz FRERJGPSOOIFPP-FZMZJTMJSA-N 1 0 368.275 1.778 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000161249640 525063636 /nfs/dbraw/zinc/06/36/36/525063636.db2.gz QIFQSLZKYLIBOP-CYBMUJFWSA-N 1 0 371.528 1.286 20 70 FDIDRO CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000161256838 525066373 /nfs/dbraw/zinc/06/63/73/525066373.db2.gz IXPDUCLKGZQPCE-MAUKXSAKSA-N 1 0 361.486 1.670 20 70 FDIDRO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161335335 525085548 /nfs/dbraw/zinc/08/55/48/525085548.db2.gz NLTGRMXOEASAFO-ICIURTGMSA-N 1 0 369.462 1.234 20 70 FDIDRO CC(=O)NC1CCC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000161368459 525093742 /nfs/dbraw/zinc/09/37/42/525093742.db2.gz XHMUEAFGEVJQJG-UHFFFAOYSA-N 1 0 373.906 1.655 20 70 FDIDRO CC(=O)NC1CCC([NH2+]CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000161444567 525110969 /nfs/dbraw/zinc/11/09/69/525110969.db2.gz XFBDRLUEMYKJPL-UHFFFAOYSA-N 1 0 353.488 1.310 20 70 FDIDRO O=C(N1CCNC(=O)CC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000161453364 525111571 /nfs/dbraw/zinc/11/15/71/525111571.db2.gz IYRYNUMTNNOFGX-QGZVFWFLSA-N 1 0 369.387 1.790 20 70 FDIDRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)Cc2cccc(F)c2)CC1 ZINC000161476414 525116327 /nfs/dbraw/zinc/11/63/27/525116327.db2.gz IWPMPCKIVLMLIN-AWEZNQCLSA-N 1 0 358.479 1.680 20 70 FDIDRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000160383067 173709556 /nfs/dbraw/zinc/70/95/56/173709556.db2.gz RHMPCYLDHWIGBK-UHFFFAOYSA-N 1 0 357.252 1.487 20 70 FDIDRO CCOC(=O)c1c(C)oc2nc(CN3CCC[C@@H]([NH+](C)C)C3)nc(N)c21 ZINC000160856077 173723296 /nfs/dbraw/zinc/72/32/96/173723296.db2.gz FUKIOXDRMXNDRT-GFCCVEGCSA-N 1 0 361.446 1.816 20 70 FDIDRO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159396300 524660188 /nfs/dbraw/zinc/66/01/88/524660188.db2.gz DBYVHMKPNFALOX-CRAIPNDOSA-N 1 0 364.534 1.580 20 70 FDIDRO O=C([C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)N1CC[NH2+]CC1 ZINC000159453810 524674849 /nfs/dbraw/zinc/67/48/49/524674849.db2.gz DBGOUPXZSRTUJN-HNNXBMFYSA-N 1 0 362.499 1.370 20 70 FDIDRO CCC[C@@H]1CN(C(=O)Nc2cnn(CCOC)c2)CC[N@@H+]1CCOC ZINC000159491988 524683040 /nfs/dbraw/zinc/68/30/40/524683040.db2.gz NJJAGGDYFXNAKF-MRXNPFEDSA-N 1 0 353.467 1.494 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000159525988 524690610 /nfs/dbraw/zinc/69/06/10/524690610.db2.gz IMKSGJLLYCXDDF-LJQANCHMSA-N 1 0 360.502 1.625 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 ZINC000159568184 524699122 /nfs/dbraw/zinc/69/91/22/524699122.db2.gz PGFZTUMQIPHXDC-KRWDZBQOSA-N 1 0 364.490 1.699 20 70 FDIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000159577854 524700557 /nfs/dbraw/zinc/70/05/57/524700557.db2.gz YMDGNSHJNOODHX-KRWDZBQOSA-N 1 0 364.465 1.927 20 70 FDIDRO C[C@H](CNC(=O)NC[C@H](C)CN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000159586641 524701936 /nfs/dbraw/zinc/70/19/36/524701936.db2.gz PRBZZFPRXOKNRK-ZWKOTPCHSA-N 1 0 362.518 1.774 20 70 FDIDRO COc1cc2c(cc1OC)CN(C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)CC2 ZINC000159598576 524707004 /nfs/dbraw/zinc/70/70/04/524707004.db2.gz DXXDKFWJMMILSH-RDJZCZTQSA-N 1 0 362.470 1.681 20 70 FDIDRO CC[N@H+](CCOc1ccc(Br)cc1)[C@@H](C)C(=O)NC(=O)NC ZINC000159628545 524710688 /nfs/dbraw/zinc/71/06/88/524710688.db2.gz ZWZRJXYLDIGTIF-NSHDSACASA-N 1 0 372.263 1.994 20 70 FDIDRO O=C(Cc1csc(NC(=O)c2ccco2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159643095 524712167 /nfs/dbraw/zinc/71/21/67/524712167.db2.gz WEPBPTMDAXWSFH-TXEJJXNPSA-N 1 0 360.439 1.884 20 70 FDIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000159826846 524747375 /nfs/dbraw/zinc/74/73/75/524747375.db2.gz UMRAMSQVCJBWIO-WBVHZDCISA-N 1 0 362.449 1.913 20 70 FDIDRO CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)N1CCOCC1 ZINC000159844887 524751607 /nfs/dbraw/zinc/75/16/07/524751607.db2.gz NNFHMOHANXMBCK-SFHVURJKSA-N 1 0 354.539 1.859 20 70 FDIDRO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000159945798 524772522 /nfs/dbraw/zinc/77/25/22/524772522.db2.gz IGVATVCXVZLANH-FHLIZLRMSA-N 1 0 359.470 1.858 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000159983994 524783754 /nfs/dbraw/zinc/78/37/54/524783754.db2.gz ACPMBIIWUUQJRJ-HNNXBMFYSA-N 1 0 358.442 1.773 20 70 FDIDRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](O)COCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000159994527 524784390 /nfs/dbraw/zinc/78/43/90/524784390.db2.gz RKICQJWZKPPUMW-LZQZEXGQSA-N 1 0 361.486 1.736 20 70 FDIDRO COCCN(C)S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000160012230 524790192 /nfs/dbraw/zinc/79/01/92/524790192.db2.gz OONCQGYRSMLMSS-FUHWJXTLSA-N 1 0 369.531 1.794 20 70 FDIDRO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000160015001 524790684 /nfs/dbraw/zinc/79/06/84/524790684.db2.gz JQVCYZQDGKSOOU-UHFFFAOYSA-N 1 0 355.442 1.638 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(OCC(F)(F)F)n1 ZINC000160036658 524795518 /nfs/dbraw/zinc/79/55/18/524795518.db2.gz NWAXLNUBDISQDM-GFCCVEGCSA-N 1 0 361.364 1.599 20 70 FDIDRO O=C(Cc1ccc(Br)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160054225 524796365 /nfs/dbraw/zinc/79/63/65/524796365.db2.gz YYJGFFYVIMZZLA-HNNXBMFYSA-N 1 0 355.276 1.955 20 70 FDIDRO C[C@](O)(C[NH2+]C1CCN(CCN2CCOCC2)CC1)c1ccsc1 ZINC000160060033 524798960 /nfs/dbraw/zinc/79/89/60/524798960.db2.gz RJDHBRGUDZQNGX-SFHVURJKSA-N 1 0 353.532 1.342 20 70 FDIDRO CC(C)([NH3+])CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000160080573 524803641 /nfs/dbraw/zinc/80/36/41/524803641.db2.gz OSSHYSWDJHKBQG-UHFFFAOYSA-N 1 0 353.488 1.087 20 70 FDIDRO CC(C)([NH3+])CNC(=O)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000160086111 524805895 /nfs/dbraw/zinc/80/58/95/524805895.db2.gz OMNAJNKJKGPZID-LBPRGKRZSA-N 1 0 359.348 1.792 20 70 FDIDRO CN(Cc1cc(=O)n2cc(Br)ccc2n1)[C@H](C[NH3+])C1CC1 ZINC000160083686 524806124 /nfs/dbraw/zinc/80/61/24/524806124.db2.gz SEVIZZQIRPRNGM-CYBMUJFWSA-N 1 0 351.248 1.626 20 70 FDIDRO Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cn2)n1 ZINC000160144903 524818389 /nfs/dbraw/zinc/81/83/89/524818389.db2.gz VAWWXVATIXZJKN-QGZVFWFLSA-N 1 0 357.458 1.461 20 70 FDIDRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000160157035 524820155 /nfs/dbraw/zinc/82/01/55/524820155.db2.gz XKAGBIOBRKVJDJ-CYBMUJFWSA-N 1 0 356.444 1.705 20 70 FDIDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000160168645 524822665 /nfs/dbraw/zinc/82/26/65/524822665.db2.gz DKHUWMNCDUBXRT-CQSZACIVSA-N 1 0 357.458 1.966 20 70 FDIDRO Cc1c(C(=O)N2CCC[C@H]2C[NH3+])nnn1-c1cccc(Br)c1 ZINC000160175173 524825120 /nfs/dbraw/zinc/82/51/20/524825120.db2.gz ZEDYGMLJWLRWGA-ZDUSSCGKSA-N 1 0 364.247 1.902 20 70 FDIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000160221492 524834965 /nfs/dbraw/zinc/83/49/65/524834965.db2.gz YWNVSFXBUQLRTI-IAGOWNOFSA-N 1 0 365.499 1.178 20 70 FDIDRO CN1CCC(=O)Nc2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)ccc21 ZINC000160263577 524842414 /nfs/dbraw/zinc/84/24/14/524842414.db2.gz CTVQHBBZFCUBSN-OAHLLOKOSA-N 1 0 360.458 1.042 20 70 FDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000160268150 524846007 /nfs/dbraw/zinc/84/60/07/524846007.db2.gz BPLVRTFVOORDJR-INIZCTEOSA-N 1 0 365.499 1.815 20 70 FDIDRO C[C@]1(O)CCCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000160339234 524860220 /nfs/dbraw/zinc/86/02/20/524860220.db2.gz YDGGJCQDZNGZMB-FQEVSTJZSA-N 1 0 360.502 1.755 20 70 FDIDRO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000160347844 524865594 /nfs/dbraw/zinc/86/55/94/524865594.db2.gz OWAJOBVBVYEEPH-SJORKVTESA-N 1 0 359.470 1.644 20 70 FDIDRO O=C(COc1ccc2ccc(=O)oc2c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160408284 524879515 /nfs/dbraw/zinc/87/95/15/524879515.db2.gz WYKUNJBTJGIWDG-HNNXBMFYSA-N 1 0 360.410 1.135 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccn(-c2c(F)cccc2F)n1 ZINC000160414851 524882324 /nfs/dbraw/zinc/88/23/24/524882324.db2.gz LBSQXDVSJZGFJI-CYBMUJFWSA-N 1 0 364.396 1.727 20 70 FDIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000160420088 524884127 /nfs/dbraw/zinc/88/41/27/524884127.db2.gz LEUUKIDDDOSKQR-SNVBAGLBSA-N 1 0 357.252 1.629 20 70 FDIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000160427888 524886891 /nfs/dbraw/zinc/88/68/91/524886891.db2.gz IUDVERXCBCTGJW-CQSZACIVSA-N 1 0 373.457 1.823 20 70 FDIDRO CC(C)[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000160486099 524899805 /nfs/dbraw/zinc/89/98/05/524899805.db2.gz HGPZLLUWKCLDPT-MHORFTMASA-N 1 0 355.523 1.083 20 70 FDIDRO CCS(=O)(=O)NCc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000160587095 524921865 /nfs/dbraw/zinc/92/18/65/524921865.db2.gz UCMCAHWOPXRXET-OAHLLOKOSA-N 1 0 367.515 1.588 20 70 FDIDRO O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCC1CC[NH+](CCO)CC1 ZINC000160649367 524938121 /nfs/dbraw/zinc/93/81/21/524938121.db2.gz UQUXKDOAZULSHM-UHFFFAOYSA-N 1 0 372.469 1.066 20 70 FDIDRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC2(C1)OCCO2 ZINC000160668487 524941679 /nfs/dbraw/zinc/94/16/79/524941679.db2.gz ZHQLMMNUYVWNJR-AEFFLSMTSA-N 1 0 359.470 1.214 20 70 FDIDRO CCN(CC)C(=O)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160687114 524948978 /nfs/dbraw/zinc/94/89/78/524948978.db2.gz JZCWVEJAPGZACW-GOSISDBHSA-N 1 0 361.486 1.745 20 70 FDIDRO CCOC(=O)c1c(C)[nH]c(C(=O)NCC2CC[NH+](CCO)CC2)c1C ZINC000160699264 524951134 /nfs/dbraw/zinc/95/11/34/524951134.db2.gz CSSPWSILAJJWNX-UHFFFAOYSA-N 1 0 351.447 1.242 20 70 FDIDRO [NH3+][C@@H](CCC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccccc1 ZINC000160716992 524955666 /nfs/dbraw/zinc/95/56/66/524955666.db2.gz BHJXODYZQIFTPD-KRWDZBQOSA-N 1 0 371.441 1.161 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000160747752 524962929 /nfs/dbraw/zinc/96/29/29/524962929.db2.gz SQAGUXGFRSQMMQ-RISCZKNCSA-N 1 0 371.359 1.758 20 70 FDIDRO O=C(Cn1c(=O)[nH]c2ccccc21)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160752079 524964231 /nfs/dbraw/zinc/96/42/31/524964231.db2.gz YOPBOADCJSFKEF-QZTJIDSGSA-N 1 0 372.469 1.214 20 70 FDIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000160755765 524964986 /nfs/dbraw/zinc/96/49/86/524964986.db2.gz VNQSDPXESBNAHQ-KGLIPLIRSA-N 1 0 369.491 1.239 20 70 FDIDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C2(NC(N)=O)CC2)C1 ZINC000160765416 524966086 /nfs/dbraw/zinc/96/60/86/524966086.db2.gz JDXCCABAVDSKMO-HUUCEWRRSA-N 1 0 358.486 1.982 20 70 FDIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000160805816 524974739 /nfs/dbraw/zinc/97/47/39/524974739.db2.gz CLRRLXRRKDEIFQ-WBVHZDCISA-N 1 0 364.490 1.036 20 70 FDIDRO CC(C)C(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160848068 524982111 /nfs/dbraw/zinc/98/21/11/524982111.db2.gz NAXWMTMNHFVKQE-JKSUJKDBSA-N 1 0 350.507 1.950 20 70 FDIDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000160859502 524983815 /nfs/dbraw/zinc/98/38/15/524983815.db2.gz KRKNMZNWRPWSMB-ZIAGYGMSSA-N 1 0 369.491 1.239 20 70 FDIDRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000160863753 524985759 /nfs/dbraw/zinc/98/57/59/524985759.db2.gz XJZGVMZUQKPBGR-JYJNAYRXSA-N 1 0 352.500 1.893 20 70 FDIDRO Cc1onc(-c2ccncc2)c1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000160862360 524986003 /nfs/dbraw/zinc/98/60/03/524986003.db2.gz ZDPTZACQRYSNKJ-HNNXBMFYSA-N 1 0 371.441 1.362 20 70 FDIDRO CC(C)CCn1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000160927777 524998848 /nfs/dbraw/zinc/99/88/48/524998848.db2.gz AUWSYFYTIOGPSX-MRXNPFEDSA-N 1 0 350.511 1.934 20 70 FDIDRO [NH3+]C1(C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)Cc2ccccc2C1 ZINC000161002917 525014073 /nfs/dbraw/zinc/01/40/73/525014073.db2.gz GPUNCBYXDTUXOU-UHFFFAOYSA-N 1 0 367.424 1.493 20 70 FDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 ZINC000161060269 525025398 /nfs/dbraw/zinc/02/53/98/525025398.db2.gz VBWKABYZBKTSKC-SBJJXXPASA-N 1 0 359.470 1.350 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000161139685 525041289 /nfs/dbraw/zinc/04/12/89/525041289.db2.gz CWLXHXLIYHTFPT-BBRMVZONSA-N 1 0 360.458 1.959 20 70 FDIDRO COCC[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000161155478 525046405 /nfs/dbraw/zinc/04/64/05/525046405.db2.gz OJSBNOWCWXLVPU-MRXNPFEDSA-N 1 0 374.547 1.407 20 70 FDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 ZINC000161226232 525060221 /nfs/dbraw/zinc/06/02/21/525060221.db2.gz JWNXPDMJENOQQT-XYPHTWIQSA-N 1 0 357.454 1.350 20 70 FDIDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000161231760 525060629 /nfs/dbraw/zinc/06/06/29/525060629.db2.gz AEOIBWUKXDZZIP-INIZCTEOSA-N 1 0 373.505 1.433 20 70 FDIDRO O=C(C[C@]1(C(=O)N2C[C@@H]3CCC[C@@H]3C2)CC[NH2+]C1)N1C[C@@H]2CCC[C@H]2C1 ZINC000161230061 525060654 /nfs/dbraw/zinc/06/06/54/525060654.db2.gz BPCMWUBGPNLAJU-ARWBCWGVSA-N 1 0 359.514 1.873 20 70 FDIDRO O=C(C[C@]1(C(=O)N2C[C@@H]3CCC[C@@H]3C2)CC[NH2+]C1)N1C[C@H]2CCC[C@@H]2C1 ZINC000161230172 525061220 /nfs/dbraw/zinc/06/12/20/525061220.db2.gz BPCMWUBGPNLAJU-DKLJTFSYSA-N 1 0 359.514 1.873 20 70 FDIDRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1 ZINC000161257938 525066683 /nfs/dbraw/zinc/06/66/83/525066683.db2.gz SKGLTDRNXUXWGM-UHFFFAOYSA-N 1 0 373.457 1.122 20 70 FDIDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000161252208 525067319 /nfs/dbraw/zinc/06/73/19/525067319.db2.gz ZASAZNWNUBQEIJ-HUUCEWRRSA-N 1 0 357.545 1.927 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cnn1-c1ccccc1 ZINC000161265188 525069395 /nfs/dbraw/zinc/06/93/95/525069395.db2.gz FGECEBYBEYSGMO-CYBMUJFWSA-N 1 0 355.442 1.718 20 70 FDIDRO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NCC2CC[NH+](C)CC2)c1 ZINC000161297510 525073708 /nfs/dbraw/zinc/07/37/08/525073708.db2.gz CRVGBOBESUMTGN-UHFFFAOYSA-N 1 0 369.469 1.886 20 70 FDIDRO Cc1cnn(Cc2cc(C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)no2)c1 ZINC000161368905 525094985 /nfs/dbraw/zinc/09/49/85/525094985.db2.gz BRODZJWALVXTNU-GASCZTMLSA-N 1 0 361.446 1.457 20 70 FDIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1cccc(Cl)c1Cl ZINC000161414584 525102918 /nfs/dbraw/zinc/10/29/18/525102918.db2.gz DYDXHBOIUQWSCE-UHFFFAOYSA-N 1 0 367.298 1.976 20 70 FDIDRO CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1 ZINC000161418994 525104888 /nfs/dbraw/zinc/10/48/88/525104888.db2.gz UOZQYDYTNOQYMI-OAHLLOKOSA-N 1 0 360.458 1.122 20 70 FDIDRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)CC1 ZINC000161446876 525110130 /nfs/dbraw/zinc/11/01/30/525110130.db2.gz PQMCMUOHBLFYNY-INIZCTEOSA-N 1 0 358.446 1.403 20 70 FDIDRO CC1CCC(NS(=O)(=O)CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000161460604 525114249 /nfs/dbraw/zinc/11/42/49/525114249.db2.gz ROLQYDIRUVJTPK-OZEOOWDWSA-N 1 0 357.520 1.226 20 70 FDIDRO CCCN(C)S(=O)(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000161127874 258263534 /nfs/dbraw/zinc/26/35/34/258263534.db2.gz FZLQPXUBCDCYOS-UHFFFAOYSA-N 1 0 355.504 1.320 20 70 FDIDRO O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000161173918 173732454 /nfs/dbraw/zinc/73/24/54/173732454.db2.gz AOJBKVOYNFDDHR-INIZCTEOSA-N 1 0 365.499 1.097 20 70 FDIDRO Cc1ccccc1CCNC(=O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159387106 524658175 /nfs/dbraw/zinc/65/81/75/524658175.db2.gz OTMWGRLLPPVGPJ-IBGZPJMESA-N 1 0 372.513 1.068 20 70 FDIDRO O=C(Cn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cn1)NC1CCCCC1 ZINC000159394854 524660378 /nfs/dbraw/zinc/66/03/78/524660378.db2.gz ZQRRLRAMUBSXKW-CALCHBBNSA-N 1 0 359.474 1.299 20 70 FDIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000159403007 524661191 /nfs/dbraw/zinc/66/11/91/524661191.db2.gz RFCALJSCCKJHRW-SFHVURJKSA-N 1 0 362.518 1.334 20 70 FDIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000159418853 524666120 /nfs/dbraw/zinc/66/61/20/524666120.db2.gz ZXCHCENVODMDEM-SJORKVTESA-N 1 0 353.413 1.412 20 70 FDIDRO CCNC(=O)NC(=O)CN(C)C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000159440389 524669507 /nfs/dbraw/zinc/66/95/07/524669507.db2.gz ALECFRCHHGECML-HOTGVXAUSA-N 1 0 360.502 1.921 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)C1 ZINC000159473918 524678658 /nfs/dbraw/zinc/67/86/58/524678658.db2.gz ZZDDMNWSVXFVDK-HNNXBMFYSA-N 1 0 370.457 1.300 20 70 FDIDRO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159538972 524692092 /nfs/dbraw/zinc/69/20/92/524692092.db2.gz HVMPALWOMFCBOL-YJBOKZPZSA-N 1 0 368.499 1.902 20 70 FDIDRO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCS2(=O)=O)CC1 ZINC000159648177 524715551 /nfs/dbraw/zinc/71/55/51/524715551.db2.gz UNDUOIIFRHFSDN-INIZCTEOSA-N 1 0 359.536 1.621 20 70 FDIDRO CN1C[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCC1=O ZINC000159753987 524734026 /nfs/dbraw/zinc/73/40/26/524734026.db2.gz JMNAQWXTUXTEBE-OAHLLOKOSA-N 1 0 368.547 1.658 20 70 FDIDRO O=C(CNC(=O)c1cccnc1)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000159791238 524738469 /nfs/dbraw/zinc/73/84/69/524738469.db2.gz FGYMRUWOVHUVHZ-UHFFFAOYSA-N 1 0 367.453 1.030 20 70 FDIDRO CC(=O)N1CC[C@@H](CN(C)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000159828433 524747854 /nfs/dbraw/zinc/74/78/54/524747854.db2.gz UCUCNMSMEVNOSP-RBUKOAKNSA-N 1 0 360.502 1.669 20 70 FDIDRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(-n4ccnn4)cc3)C2=O)n(C)n1 ZINC000159864564 524755669 /nfs/dbraw/zinc/75/56/69/524755669.db2.gz JHUXLQGLOIDWRB-YOEHRIQHSA-N 1 0 365.441 1.765 20 70 FDIDRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159857787 524755962 /nfs/dbraw/zinc/75/59/62/524755962.db2.gz MAHJAQUNLHCBPW-KGLIPLIRSA-N 1 0 358.446 1.788 20 70 FDIDRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159875055 524756966 /nfs/dbraw/zinc/75/69/66/524756966.db2.gz RRCGRNGHVSWNRG-QWHCGFSZSA-N 1 0 359.430 1.359 20 70 FDIDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCNC2=O)cc1 ZINC000159871088 524757008 /nfs/dbraw/zinc/75/70/08/524757008.db2.gz VLIFJWKRZXHMAY-QWHCGFSZSA-N 1 0 357.414 1.065 20 70 FDIDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000159872645 524757156 /nfs/dbraw/zinc/75/71/56/524757156.db2.gz GJJNJCMLWPMHAF-KBPBESRZSA-N 1 0 370.457 1.043 20 70 FDIDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccc(-n2ccnn2)cc1 ZINC000159872772 524757545 /nfs/dbraw/zinc/75/75/45/524757545.db2.gz GJJNJCMLWPMHAF-KGLIPLIRSA-N 1 0 370.457 1.043 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCc2cn3ccccc3n2)CC[N@@H+]1CCOC ZINC000159888575 524759622 /nfs/dbraw/zinc/75/96/22/524759622.db2.gz FZQWLFCEPCFVHN-KRWDZBQOSA-N 1 0 359.474 1.977 20 70 FDIDRO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](CCc2nccs2)C(C)C)C1 ZINC000159926136 524767978 /nfs/dbraw/zinc/76/79/78/524767978.db2.gz SKEFNJJDWZJMTP-HNNXBMFYSA-N 1 0 352.504 1.523 20 70 FDIDRO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000159945934 524773467 /nfs/dbraw/zinc/77/34/67/524773467.db2.gz IGVATVCXVZLANH-JCGIZDLHSA-N 1 0 359.470 1.858 20 70 FDIDRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@@]3(C)CCCS3)ccn2)CC1 ZINC000160070857 524802020 /nfs/dbraw/zinc/80/20/20/524802020.db2.gz RMIPMOAHBMNPGR-GOSISDBHSA-N 1 0 363.531 1.918 20 70 FDIDRO [NH3+]CCCNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000160075023 524802530 /nfs/dbraw/zinc/80/25/30/524802530.db2.gz WXHPQOJCSHZNCL-UHFFFAOYSA-N 1 0 368.275 1.766 20 70 FDIDRO CCCCN(C)c1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000160083153 524805837 /nfs/dbraw/zinc/80/58/37/524805837.db2.gz XPWMDSOPDHUPIR-UHFFFAOYSA-N 1 0 360.502 1.769 20 70 FDIDRO CC(C)([NH3+])CNC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000160121773 524815023 /nfs/dbraw/zinc/81/50/23/524815023.db2.gz SMVMXKPPGPBGNR-AWEZNQCLSA-N 1 0 364.515 1.792 20 70 FDIDRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc3c([nH]c2=O)CCCCC3)CC1 ZINC000160141120 524818904 /nfs/dbraw/zinc/81/89/04/524818904.db2.gz LMQUCEBRVCVCJT-UHFFFAOYSA-N 1 0 374.529 1.647 20 70 FDIDRO CCC[C@@H]([NH2+]C1CCN(C(N)=O)CC1)C(=O)N1CCc2sccc2C1 ZINC000160161270 524821747 /nfs/dbraw/zinc/82/17/47/524821747.db2.gz UBDXHXYYJHXNFF-OAHLLOKOSA-N 1 0 364.515 1.934 20 70 FDIDRO CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000160163603 524822100 /nfs/dbraw/zinc/82/21/00/524822100.db2.gz XUBBSEOUHARGBQ-HZPDHXFCSA-N 1 0 353.507 1.234 20 70 FDIDRO CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160189422 524827075 /nfs/dbraw/zinc/82/70/75/524827075.db2.gz RCRICRVTYBYVBE-QGZVFWFLSA-N 1 0 372.469 1.848 20 70 FDIDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160234638 524836493 /nfs/dbraw/zinc/83/64/93/524836493.db2.gz ATHRDALYFACGLU-AEFFLSMTSA-N 1 0 352.523 1.611 20 70 FDIDRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NCCn1cccc1 ZINC000160231224 524837741 /nfs/dbraw/zinc/83/77/41/524837741.db2.gz MLURSIORVHWCHY-UHFFFAOYSA-N 1 0 372.469 1.964 20 70 FDIDRO CCCN(CC[NH+](C)C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000160352236 524865450 /nfs/dbraw/zinc/86/54/50/524865450.db2.gz VJABVZDHDMJYBN-CQSZACIVSA-N 1 0 373.544 1.701 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000160369998 524868979 /nfs/dbraw/zinc/86/89/79/524868979.db2.gz NAZYWWCOHSHOSJ-HNNXBMFYSA-N 1 0 365.499 1.733 20 70 FDIDRO Cc1nc(CC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(C)s1 ZINC000160371566 524870390 /nfs/dbraw/zinc/87/03/90/524870390.db2.gz JRAPQPZGPDOBDS-HNNXBMFYSA-N 1 0 352.504 1.361 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1CC ZINC000160370204 524872364 /nfs/dbraw/zinc/87/23/64/524872364.db2.gz SJGOKACAEYHQMA-AWEZNQCLSA-N 1 0 361.490 1.522 20 70 FDIDRO COc1ccc(Cn2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cn2)cc1 ZINC000160385349 524875438 /nfs/dbraw/zinc/87/54/38/524875438.db2.gz CBMUEDWSGUYJLN-GOSISDBHSA-N 1 0 372.469 1.517 20 70 FDIDRO O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000160395391 524879176 /nfs/dbraw/zinc/87/91/76/524879176.db2.gz OTTOAJVGECOYIV-HUUCEWRRSA-N 1 0 351.834 1.330 20 70 FDIDRO CNC(=O)CN1CCC(NC(=O)N2CCO[C@H](c3ccsc3)C2)CC1 ZINC000160449811 524891555 /nfs/dbraw/zinc/89/15/55/524891555.db2.gz ABAUUQXZQMBGAE-HNNXBMFYSA-N 1 0 366.487 1.041 20 70 FDIDRO Cc1cnccc1CCNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000160476113 524898388 /nfs/dbraw/zinc/89/83/88/524898388.db2.gz VJQWGVZBVFOTGZ-QGZVFWFLSA-N 1 0 361.490 1.174 20 70 FDIDRO COCCCOc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160505165 524904244 /nfs/dbraw/zinc/90/42/44/524904244.db2.gz ZIBFUMJZKUOJBY-QGZVFWFLSA-N 1 0 350.459 1.679 20 70 FDIDRO CC(C)c1nnc(/C=C/C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)o1 ZINC000160523661 524909120 /nfs/dbraw/zinc/90/91/20/524909120.db2.gz XUPJLNAEUKZLCI-PIIXRYACSA-N 1 0 370.453 1.958 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000160550770 524915385 /nfs/dbraw/zinc/91/53/85/524915385.db2.gz ONWVDCQBHXFEHJ-UHFFFAOYSA-N 1 0 355.504 1.963 20 70 FDIDRO O=C(CS(=O)(=O)C1CCCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160572637 524918919 /nfs/dbraw/zinc/91/89/19/524918919.db2.gz GGZRDFGZTIRTMV-IAGOWNOFSA-N 1 0 372.531 1.228 20 70 FDIDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(C(F)(F)F)nc3)C2)CC1 ZINC000160636119 524935892 /nfs/dbraw/zinc/93/58/92/524935892.db2.gz DJCUBPWCCWNLRP-ZDUSSCGKSA-N 1 0 357.380 1.347 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@H](c1ccccc1)N1CCCCC1=O ZINC000160656812 524940137 /nfs/dbraw/zinc/94/01/37/524940137.db2.gz BVCPLCSRNKAVNZ-FQEVSTJZSA-N 1 0 373.497 1.561 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000160660552 524940698 /nfs/dbraw/zinc/94/06/98/524940698.db2.gz ACUUHRIQGLGSKC-ULQDDVLXSA-N 1 0 360.454 1.524 20 70 FDIDRO O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160673641 524945961 /nfs/dbraw/zinc/94/59/61/524945961.db2.gz GSAAKTMOYKSTGO-IRXDYDNUSA-N 1 0 356.470 1.855 20 70 FDIDRO CC1(C)CN(C(=O)Cn2cc(NC(=O)CCCCCC[NH3+])cn2)CCO1 ZINC000160704997 524954536 /nfs/dbraw/zinc/95/45/36/524954536.db2.gz HEVSXAVQVWGRRS-UHFFFAOYSA-N 1 0 365.478 1.368 20 70 FDIDRO CCC[C@@H]1CN(C(=O)Nc2cccnc2-n2cncn2)CC[N@@H+]1CCOC ZINC000160729530 524957440 /nfs/dbraw/zinc/95/74/40/524957440.db2.gz NBEYRURFMPDNCG-OAHLLOKOSA-N 1 0 373.461 1.627 20 70 FDIDRO CCCC(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160754749 524964145 /nfs/dbraw/zinc/96/41/45/524964145.db2.gz BALUOLFJFQNAEK-DLBZAZTESA-N 1 0 350.507 1.809 20 70 FDIDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)CCC(=O)OCc2ccccc2)CC[N@@H+]1C ZINC000160843414 524981126 /nfs/dbraw/zinc/98/11/26/524981126.db2.gz VIMHQJCFPAKNJS-RDJZCZTQSA-N 1 0 368.499 1.864 20 70 FDIDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@@H](C)[C@@H]3C)cn2)CC1 ZINC000160839980 524982154 /nfs/dbraw/zinc/98/21/54/524982154.db2.gz IPNQYHLPPISNPJ-HOTGVXAUSA-N 1 0 361.490 1.542 20 70 FDIDRO Cc1nn(C)cc1C[NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1 ZINC000160944344 525000761 /nfs/dbraw/zinc/00/07/61/525000761.db2.gz DOOLBRAWPDUFEY-UHFFFAOYSA-N 1 0 350.488 1.846 20 70 FDIDRO CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Nc1ccn(CC[NH+](C)C)n1)CC2 ZINC000161089153 525030805 /nfs/dbraw/zinc/03/08/05/525030805.db2.gz DGMFGBFCDBPIKD-CABCVRRESA-N 1 0 365.478 1.229 20 70 FDIDRO Cn1cc([C@@]2(C)CN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CCO2)cn1 ZINC000161125041 525039279 /nfs/dbraw/zinc/03/92/79/525039279.db2.gz JURLRWXMEIENSQ-VQIMIIECSA-N 1 0 361.490 1.694 20 70 FDIDRO COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000161124293 525039377 /nfs/dbraw/zinc/03/93/77/525039377.db2.gz QGXXYOJNJLJIDQ-ZFWWWQNUSA-N 1 0 362.478 1.576 20 70 FDIDRO CO[C@@H]1CCN(S(=O)(=O)c2ccc(Br)s2)[C@H](C[NH3+])C1 ZINC000161151809 525043824 /nfs/dbraw/zinc/04/38/24/525043824.db2.gz CCDBMJNTQHGCGJ-DTWKUNHWSA-N 1 0 369.306 1.637 20 70 FDIDRO CCC[C@H]1CN(C(=O)Nc2ccc(C(N)=O)c(F)c2)CC[N@@H+]1CCOC ZINC000161162655 525045865 /nfs/dbraw/zinc/04/58/65/525045865.db2.gz SQIOAKCHUOAVEP-AWEZNQCLSA-N 1 0 366.437 1.889 20 70 FDIDRO CCc1ncc(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)cn1 ZINC000161197631 525051257 /nfs/dbraw/zinc/05/12/57/525051257.db2.gz RAHRURNRLCZOGZ-UHFFFAOYSA-N 1 0 355.446 1.508 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000161255859 525065743 /nfs/dbraw/zinc/06/57/43/525065743.db2.gz AJRSHDIUOBOOPK-RDJZCZTQSA-N 1 0 369.469 1.626 20 70 FDIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cc(F)ccc1Cl ZINC000161308233 525077883 /nfs/dbraw/zinc/07/78/83/525077883.db2.gz CBRORZAEQCZZOR-UHFFFAOYSA-N 1 0 368.858 1.040 20 70 FDIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CNS(=O)(=O)CC)cc2)C1 ZINC000161323165 525079999 /nfs/dbraw/zinc/07/99/99/525079999.db2.gz ILODBOCSZGDHHL-HNNXBMFYSA-N 1 0 353.488 1.198 20 70 FDIDRO C[N@@H+]1CCN(CCN2C(=O)NC3(CCCC3)C2=O)[C@H](c2ccccc2)C1 ZINC000161333639 525084960 /nfs/dbraw/zinc/08/49/60/525084960.db2.gz WCEJKISAVVOCDQ-KRWDZBQOSA-N 1 0 356.470 1.840 20 70 FDIDRO COc1cc(C)c(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1C ZINC000161386975 525097313 /nfs/dbraw/zinc/09/73/13/525097313.db2.gz DNADIWYSKFLWKW-UHFFFAOYSA-N 1 0 356.488 1.295 20 70 FDIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1cc(Cl)cc(Cl)c1 ZINC000161404326 525101019 /nfs/dbraw/zinc/10/10/19/525101019.db2.gz SMIFXQIWXUEKBP-UHFFFAOYSA-N 1 0 367.298 1.976 20 70 FDIDRO CC(=O)c1cccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000161457410 525112556 /nfs/dbraw/zinc/11/25/56/525112556.db2.gz VQYOFBSWDSNDAX-AWEZNQCLSA-N 1 0 368.499 1.603 20 70 FDIDRO COc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c2ccccc12 ZINC000161465533 525114532 /nfs/dbraw/zinc/11/45/32/525114532.db2.gz CLAGVBUANPFTNR-KRWDZBQOSA-N 1 0 352.456 1.439 20 70 FDIDRO COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 ZINC000218103769 537458788 /nfs/dbraw/zinc/45/87/88/537458788.db2.gz VESPLTRWLJDOJE-CYBMUJFWSA-N 1 0 363.439 1.656 20 70 FDIDRO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 ZINC000218105468 537459848 /nfs/dbraw/zinc/45/98/48/537459848.db2.gz DUSAUEXJBWCVJE-AWEZNQCLSA-N 1 0 361.423 1.425 20 70 FDIDRO CCOC(=O)NCCCC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000161039911 258263445 /nfs/dbraw/zinc/26/34/45/258263445.db2.gz ITQYBKIEYDSTTI-UHFFFAOYSA-N 1 0 362.474 1.899 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1CC ZINC000159783889 173688538 /nfs/dbraw/zinc/68/85/38/173688538.db2.gz UYWIGSYUVPYCHE-CQSZACIVSA-N 1 0 363.506 1.672 20 70 FDIDRO CC(=O)NC1(c2noc(CCC(=O)NCCC[NH3+])n2)CCCCCC1 ZINC000160103176 173698933 /nfs/dbraw/zinc/69/89/33/173698933.db2.gz CNXRJZZWFFLYAN-UHFFFAOYSA-N 1 0 351.451 1.153 20 70 FDIDRO CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCC(C)(C)[NH3+])c1 ZINC000160113870 173700193 /nfs/dbraw/zinc/70/01/93/173700193.db2.gz BHOIMHDGFQQEKC-UHFFFAOYSA-N 1 0 368.503 1.004 20 70 FDIDRO CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@@H]([NH3+])C1)C2=O ZINC000160203025 173702632 /nfs/dbraw/zinc/70/26/32/173702632.db2.gz DCBVFBJAGCGXMW-YNAXMUEKSA-N 1 0 350.463 1.073 20 70 FDIDRO NC(=O)NCc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160234061 173703279 /nfs/dbraw/zinc/70/32/79/173703279.db2.gz WBJGPIJZIUOTEE-ZWKOTPCHSA-N 1 0 374.485 1.353 20 70 FDIDRO Cn1cc(N2CC[C@@H](NC(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000160296235 173706160 /nfs/dbraw/zinc/70/61/60/173706160.db2.gz YTQLWTGFJDEQOZ-DOTOQJQBSA-N 1 0 374.489 1.185 20 70 FDIDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160327165 173707186 /nfs/dbraw/zinc/70/71/86/173707186.db2.gz DMEMYROFMYQCTF-NSHDSACASA-N 1 0 351.373 1.924 20 70 FDIDRO O=C(Cn1ncc2ccccc21)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160362368 173708865 /nfs/dbraw/zinc/70/88/65/173708865.db2.gz WBUZZWJRYIHKOY-OALUTQOASA-N 1 0 356.470 1.920 20 70 FDIDRO Cc1ccc(S(=O)(=O)NCC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161444720 173741815 /nfs/dbraw/zinc/74/18/15/173741815.db2.gz PDYNLHMACCMFKD-UHFFFAOYSA-N 1 0 354.472 1.549 20 70 FDIDRO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)C1 ZINC000159383094 524658026 /nfs/dbraw/zinc/65/80/26/524658026.db2.gz KQXPTHXKKQQRSA-CYBMUJFWSA-N 1 0 368.503 1.931 20 70 FDIDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000159424934 524668602 /nfs/dbraw/zinc/66/86/02/524668602.db2.gz HLSMAUXEEMBYEC-HZPDHXFCSA-N 1 0 365.478 1.494 20 70 FDIDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC(N3CCCNC3=O)CC2)C1 ZINC000159455903 524674095 /nfs/dbraw/zinc/67/40/95/524674095.db2.gz PKTNTPOADKBMFT-ZBFHGGJFSA-N 1 0 351.495 1.449 20 70 FDIDRO C[C@@H](Oc1cccc(CO)c1)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000159540759 524692417 /nfs/dbraw/zinc/69/24/17/524692417.db2.gz KFQGUTGXIMWQDM-BZUAXINKSA-N 1 0 350.459 1.562 20 70 FDIDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc(S(=O)(=O)N(C)C)c1C ZINC000159558829 524696870 /nfs/dbraw/zinc/69/68/70/524696870.db2.gz YANBGLQOSOIORM-IYBDPMFKSA-N 1 0 365.499 1.520 20 70 FDIDRO O=C(CNC(=O)c1ccsc1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000159567166 524696897 /nfs/dbraw/zinc/69/68/97/524696897.db2.gz HQIZTHQYBDQRBO-MRXNPFEDSA-N 1 0 365.499 1.581 20 70 FDIDRO Cc1ccc(S(N)(=O)=O)c(C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000159603438 524705743 /nfs/dbraw/zinc/70/57/43/524705743.db2.gz HOLFSXYVVHRHHQ-UHFFFAOYSA-N 1 0 353.488 1.493 20 70 FDIDRO CCCCn1ncc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1C ZINC000159665924 524717015 /nfs/dbraw/zinc/71/70/15/524717015.db2.gz SHYXVCQUPHDVTB-HNNXBMFYSA-N 1 0 350.511 1.997 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000159676403 524718965 /nfs/dbraw/zinc/71/89/65/524718965.db2.gz LTIJCYCGIZWGRW-RBUKOAKNSA-N 1 0 361.486 1.910 20 70 FDIDRO Cc1cc(C(=O)NCC2([NH3+])CCCCC2)cc(S(=O)(=O)N(C)C)c1C ZINC000159750889 524731720 /nfs/dbraw/zinc/73/17/20/524731720.db2.gz DLHNKBFSSYFOBR-UHFFFAOYSA-N 1 0 367.515 1.945 20 70 FDIDRO C[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[C@@H]1O ZINC000159759015 524733299 /nfs/dbraw/zinc/73/32/99/524733299.db2.gz UVCHUHHEFVJMIC-APWZRJJASA-N 1 0 361.486 1.945 20 70 FDIDRO CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000159795353 524739596 /nfs/dbraw/zinc/73/95/96/524739596.db2.gz KLKKUEGBJVQFCY-QZTJIDSGSA-N 1 0 359.470 1.947 20 70 FDIDRO COC(=O)c1sc2[nH]c(CN(C)C[C@H]3CCC[C@@H]3O)nc(=O)c2c1C ZINC000159805288 524740728 /nfs/dbraw/zinc/74/07/28/524740728.db2.gz MJFOSPUTBAHRCF-MNOVXSKESA-N 1 0 365.455 1.672 20 70 FDIDRO CCc1cc(N2CCC[C@@H](NC(=O)N3CC[N@H+](C)C[C@@H]3C(C)C)C2)ncn1 ZINC000159831001 524749344 /nfs/dbraw/zinc/74/93/44/524749344.db2.gz UQYUUVHCODVQNC-QZTJIDSGSA-N 1 0 374.533 1.989 20 70 FDIDRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159857646 524755200 /nfs/dbraw/zinc/75/52/00/524755200.db2.gz MAHJAQUNLHCBPW-ZIAGYGMSSA-N 1 0 358.446 1.788 20 70 FDIDRO CCOC(=O)c1cnn2c1nccc2C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000159898191 524762979 /nfs/dbraw/zinc/76/29/79/524762979.db2.gz AMIVXDPOKJIZNL-ZDUSSCGKSA-N 1 0 359.430 1.510 20 70 FDIDRO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159908009 524767630 /nfs/dbraw/zinc/76/76/30/524767630.db2.gz KRJIEOKSDSYLAU-KBXCAEBGSA-N 1 0 365.441 1.847 20 70 FDIDRO CC[C@@H]1CN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC[N@@H+]1CCOC ZINC000159927641 524769624 /nfs/dbraw/zinc/76/96/24/524769624.db2.gz MAFKWIRUJCSPEP-ZIAGYGMSSA-N 1 0 351.413 1.582 20 70 FDIDRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@]3(C)CCCS3)ccn2)CC1 ZINC000160070979 524800339 /nfs/dbraw/zinc/80/03/39/524800339.db2.gz RMIPMOAHBMNPGR-SFHVURJKSA-N 1 0 363.531 1.918 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000160076497 524802648 /nfs/dbraw/zinc/80/26/48/524802648.db2.gz AEECPKGOTPNNOB-STQMWFEESA-N 1 0 350.463 1.968 20 70 FDIDRO COc1cc(C2(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)CC2)ccc1C ZINC000160083331 524805808 /nfs/dbraw/zinc/80/58/08/524805808.db2.gz YKGXMYJFBOQZGE-UHFFFAOYSA-N 1 0 359.470 1.268 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cnn1-c1ccccc1 ZINC000160117074 524811537 /nfs/dbraw/zinc/81/15/37/524811537.db2.gz VMWLCFLKXIHHCZ-UHFFFAOYSA-N 1 0 367.453 1.862 20 70 FDIDRO COc1ccccc1C(=O)N[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(C)C ZINC000160113569 524812527 /nfs/dbraw/zinc/81/25/27/524812527.db2.gz BHWBIKWCFFBYGB-RVKKMQEKSA-N 1 0 359.470 1.803 20 70 FDIDRO Cc1ccc(CN2C[C@@H](C(=O)NC[C@H](O)C[NH+]3CCCCC3)CC2=O)cc1 ZINC000160132715 524817147 /nfs/dbraw/zinc/81/71/47/524817147.db2.gz KFQCEPDIIMAQLE-OALUTQOASA-N 1 0 373.497 1.307 20 70 FDIDRO C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccs1)N1CC[NH+](C)CC1 ZINC000160155560 524820236 /nfs/dbraw/zinc/82/02/36/524820236.db2.gz DDGNSINESHHYJI-CPUCHLNUSA-N 1 0 364.515 1.020 20 70 FDIDRO [NH3+]CCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000160173088 524824209 /nfs/dbraw/zinc/82/42/09/524824209.db2.gz VBLNHLXUSIELQB-UHFFFAOYSA-N 1 0 364.247 1.986 20 70 FDIDRO O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160205050 524831375 /nfs/dbraw/zinc/83/13/75/524831375.db2.gz GGYVRDYVBDSVBH-RDJZCZTQSA-N 1 0 373.419 1.843 20 70 FDIDRO [NH3+][C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000160240654 524838711 /nfs/dbraw/zinc/83/87/11/524838711.db2.gz INRBNVWXHVTUPP-LLVKDONJSA-N 1 0 357.863 1.298 20 70 FDIDRO CC(C)NS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160342465 524862543 /nfs/dbraw/zinc/86/25/43/524862543.db2.gz RIWZCHYSFPBTMN-GASCZTMLSA-N 1 0 351.472 1.340 20 70 FDIDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000160419869 524885002 /nfs/dbraw/zinc/88/50/02/524885002.db2.gz ONHZAGWQLIYNNV-LBPRGKRZSA-N 1 0 361.446 1.679 20 70 FDIDRO CCNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000160485525 524900777 /nfs/dbraw/zinc/90/07/77/524900777.db2.gz YAIHQGCIKUYXSR-ZNMIVQPWSA-N 1 0 367.515 1.862 20 70 FDIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000160527384 524908670 /nfs/dbraw/zinc/90/86/70/524908670.db2.gz LPWKDTJIDNQPKM-CABCVRRESA-N 1 0 369.531 1.749 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)C1 ZINC000160545852 524912567 /nfs/dbraw/zinc/91/25/67/524912567.db2.gz PIHJOKDMRBXTKV-CYBMUJFWSA-N 1 0 353.488 1.506 20 70 FDIDRO COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC([NH+]3CCCC3)CC1)CC2 ZINC000160577826 524920541 /nfs/dbraw/zinc/92/05/41/524920541.db2.gz SFJSWTAJQRUOGV-AWEZNQCLSA-N 1 0 362.478 1.009 20 70 FDIDRO Cc1ccc(CN2C[C@H](C(=O)NCC3CC[NH+](CCO)CC3)CC2=O)cc1 ZINC000160582657 524920557 /nfs/dbraw/zinc/92/05/57/524920557.db2.gz LYWMSPICIZEPFJ-LJQANCHMSA-N 1 0 373.497 1.164 20 70 FDIDRO COc1cccc(CO[C@H](C)C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160593393 524925639 /nfs/dbraw/zinc/92/56/39/524925639.db2.gz RMUMPKFUOJMSHL-OAHLLOKOSA-N 1 0 350.459 1.421 20 70 FDIDRO O=C(CCc1nc(-c2ccsc2)no1)NCC1CC[NH+](CCO)CC1 ZINC000160624683 524931431 /nfs/dbraw/zinc/93/14/31/524931431.db2.gz MUJBLSOLTXKXSD-UHFFFAOYSA-N 1 0 364.471 1.551 20 70 FDIDRO CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160633954 524934317 /nfs/dbraw/zinc/93/43/17/524934317.db2.gz HGCITUKHIPYZRT-CVEARBPZSA-N 1 0 353.507 1.377 20 70 FDIDRO Cc1ccc(C(=O)N2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000160691951 524948835 /nfs/dbraw/zinc/94/88/35/524948835.db2.gz KURFKOFJOIEGQA-IBGZPJMESA-N 1 0 370.497 1.947 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000160717181 524956352 /nfs/dbraw/zinc/95/63/52/524956352.db2.gz BFIQFTSXWXNGKN-IBGZPJMESA-N 1 0 362.470 1.679 20 70 FDIDRO Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000160727471 524958946 /nfs/dbraw/zinc/95/89/46/524958946.db2.gz PKFSQADSNDCTAY-CQSZACIVSA-N 1 0 364.413 1.766 20 70 FDIDRO O=C(NC[C@@H](O)COc1ccc(F)cc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160785406 524970247 /nfs/dbraw/zinc/97/02/47/524970247.db2.gz CXWVSWJVFIBXRM-NVXWUHKLSA-N 1 0 365.449 1.882 20 70 FDIDRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(-c4nc[nH]n4)c3)nc2)CC1 ZINC000160792183 524972761 /nfs/dbraw/zinc/97/27/61/524972761.db2.gz ALWGQLHHLGPJJZ-UHFFFAOYSA-N 1 0 363.425 1.871 20 70 FDIDRO O=C([C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCC[NH2+]CC1 ZINC000160838922 524982379 /nfs/dbraw/zinc/98/23/79/524982379.db2.gz RBDILCFQYYBDMU-CQSZACIVSA-N 1 0 369.387 1.876 20 70 FDIDRO Cc1ccc2c(c1)[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)CO2 ZINC000160906358 524993403 /nfs/dbraw/zinc/99/34/03/524993403.db2.gz DORAJBHOWVQBOT-ROUUACIJSA-N 1 0 360.502 2.000 20 70 FDIDRO COC[C@@H](O)CCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000160911842 524993668 /nfs/dbraw/zinc/99/36/68/524993668.db2.gz PZGOHOHJKGWBDN-DOTOQJQBSA-N 1 0 374.403 1.955 20 70 FDIDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1F ZINC000160973398 525007351 /nfs/dbraw/zinc/00/73/51/525007351.db2.gz YUCBJIOTNCEAOF-GFCCVEGCSA-N 1 0 359.401 1.900 20 70 FDIDRO COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000161124173 525038972 /nfs/dbraw/zinc/03/89/72/525038972.db2.gz QGXXYOJNJLJIDQ-UKRRQHHQSA-N 1 0 362.478 1.576 20 70 FDIDRO CO[C@H]1CCN(S(=O)(=O)c2sccc2Br)[C@H](C[NH3+])C1 ZINC000161147549 525043887 /nfs/dbraw/zinc/04/38/87/525043887.db2.gz DMXVIKZRPLKASJ-IUCAKERBSA-N 1 0 369.306 1.637 20 70 FDIDRO O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000161154893 525045256 /nfs/dbraw/zinc/04/52/56/525045256.db2.gz VJJGCQYRLDJQBO-SJORKVTESA-N 1 0 360.506 1.891 20 70 FDIDRO CN(C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000161214518 525057080 /nfs/dbraw/zinc/05/70/80/525057080.db2.gz LYWDCXBPMDFMDN-INIZCTEOSA-N 1 0 367.515 1.092 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1nnn(-c2cccc3ncccc32)c1C ZINC000161352812 525086248 /nfs/dbraw/zinc/08/62/48/525086248.db2.gz PBVKNAHVTRBBQA-AWEZNQCLSA-N 1 0 350.426 1.948 20 70 FDIDRO CC(C)C[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000161351423 525086621 /nfs/dbraw/zinc/08/66/21/525086621.db2.gz CFOFDLHMPMPSKX-INIZCTEOSA-N 1 0 351.878 1.927 20 70 FDIDRO O=C(C[NH2+]C1CCC2(CC1)OCCO2)N1CCN(c2ccccc2)CC1 ZINC000161371580 525094578 /nfs/dbraw/zinc/09/45/78/525094578.db2.gz GKIXZSYPWQOQCN-UHFFFAOYSA-N 1 0 359.470 1.611 20 70 FDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc3c(c2)CCO3)CC1 ZINC000161425446 525106985 /nfs/dbraw/zinc/10/69/85/525106985.db2.gz GUAQOZWBSNPOKX-CQSZACIVSA-N 1 0 368.499 1.335 20 70 FDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000161444133 525110026 /nfs/dbraw/zinc/11/00/26/525110026.db2.gz ZRKDRDFLCTULQV-GFCCVEGCSA-N 1 0 362.442 1.678 20 70 FDIDRO Cc1nc(CN2CCCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)cs1 ZINC000161449217 525110166 /nfs/dbraw/zinc/11/01/66/525110166.db2.gz JYMFWNNMJPWFHD-HNNXBMFYSA-N 1 0 359.499 1.945 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000161458011 525111734 /nfs/dbraw/zinc/11/17/34/525111734.db2.gz GLVAZKCZKZGPTJ-GFCCVEGCSA-N 1 0 358.357 1.435 20 70 FDIDRO Cc1cc(S(=O)(=O)F)cnc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164736536 720534560 /nfs/dbraw/zinc/53/45/60/720534560.db2.gz ZHKMUSDWTUVIFJ-CYBMUJFWSA-N 1 0 367.450 1.443 20 70 FDIDRO COc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1Br ZINC000159920259 173691836 /nfs/dbraw/zinc/69/18/36/173691836.db2.gz HWYMDBYNDHMMHP-LBPRGKRZSA-N 1 0 363.277 1.816 20 70 FDIDRO O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)cc2[nH]1 ZINC000160177126 173701372 /nfs/dbraw/zinc/70/13/72/173701372.db2.gz RSPKMROFYRXZOP-ZDUSSCGKSA-N 1 0 364.471 1.495 20 70 FDIDRO COC(=O)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160236960 173703440 /nfs/dbraw/zinc/70/34/40/173703440.db2.gz OYFXDRONLJISKF-ROUUACIJSA-N 1 0 360.454 1.971 20 70 FDIDRO C[C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](c2ccc(F)cc2)O1 ZINC000160507191 173713932 /nfs/dbraw/zinc/71/39/32/173713932.db2.gz LGVFWASZHWAOPN-SCLBCKFNSA-N 1 0 373.432 1.944 20 70 FDIDRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000159364762 524653922 /nfs/dbraw/zinc/65/39/22/524653922.db2.gz TUBGWGZYKPFBTR-NWDGAFQWSA-N 1 0 355.385 1.883 20 70 FDIDRO O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)F)N1CC[NH2+]CC1 ZINC000159376788 524655937 /nfs/dbraw/zinc/65/59/37/524655937.db2.gz GPFLVUUNQINHGT-UHFFFAOYSA-N 1 0 359.739 1.985 20 70 FDIDRO C[C@H](c1nc(-c2cccnc2)no1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159390590 524659846 /nfs/dbraw/zinc/65/98/46/524659846.db2.gz UWIAFLWPHYUCPY-CZUORRHYSA-N 1 0 370.457 1.607 20 70 FDIDRO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159408047 524662333 /nfs/dbraw/zinc/66/23/33/524662333.db2.gz VZPVUMVNMOPYCC-VLWBHCEFSA-N 1 0 364.534 1.484 20 70 FDIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000159417973 524666368 /nfs/dbraw/zinc/66/63/68/524666368.db2.gz BMFHRXRRCJBOMI-IBGZPJMESA-N 1 0 353.470 1.786 20 70 FDIDRO CCC(CC)[C@H](CNC(=O)N[C@H]1CCc2n[nH]cc2C1)[NH+]1CCOCC1 ZINC000159430507 524667864 /nfs/dbraw/zinc/66/78/64/524667864.db2.gz GDTSEERTKMLVHH-WMZOPIPTSA-N 1 0 363.506 1.703 20 70 FDIDRO CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000159425080 524668280 /nfs/dbraw/zinc/66/82/80/524668280.db2.gz NPQMLUPIIOKQMT-AWEZNQCLSA-N 1 0 360.458 1.079 20 70 FDIDRO CC(=O)N[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1c(F)cccc1F ZINC000159459986 524675374 /nfs/dbraw/zinc/67/53/74/524675374.db2.gz FGIFOGDGDSSQAB-ZENOOKHLSA-N 1 0 351.397 1.885 20 70 FDIDRO C[NH+]1CCC(C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000159485775 524683371 /nfs/dbraw/zinc/68/33/71/524683371.db2.gz FTFGFDUIKOBPAJ-AWEZNQCLSA-N 1 0 354.834 1.603 20 70 FDIDRO CC(C)[C@H](CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000159538036 524692333 /nfs/dbraw/zinc/69/23/33/524692333.db2.gz VJVNTILKJVHXAZ-BZSNNMDCSA-N 1 0 352.523 1.515 20 70 FDIDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc4c([nH]c3=O)CCCCC4)CC2)CCO1 ZINC000159541497 524692378 /nfs/dbraw/zinc/69/23/78/524692378.db2.gz DLHQNNNILKBUMO-HNNXBMFYSA-N 1 0 373.497 1.969 20 70 FDIDRO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159539091 524692497 /nfs/dbraw/zinc/69/24/97/524692497.db2.gz HVMPALWOMFCBOL-QAPCUYQASA-N 1 0 368.499 1.902 20 70 FDIDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1CC2(C1)NC(=O)NC2=O ZINC000159583999 524702170 /nfs/dbraw/zinc/70/21/70/524702170.db2.gz KVXNXNLWBRUQGU-GPWPYBQESA-N 1 0 370.453 1.098 20 70 FDIDRO O=C1[C@@H](N2CC[C@H](C[NH+]3CCOCC3)C2)CCCN1c1ccccc1F ZINC000159588042 524705020 /nfs/dbraw/zinc/70/50/20/524705020.db2.gz MRXNRMCZVOSLAM-APWZRJJASA-N 1 0 361.461 1.975 20 70 FDIDRO C[NH+](C)[C@@H](CNC(=O)CN1CCC(O)(C(F)(F)F)CC1)c1ccccc1 ZINC000159609238 524707888 /nfs/dbraw/zinc/70/78/88/524707888.db2.gz RWHMRHGOVWCJSH-HNNXBMFYSA-N 1 0 373.419 1.795 20 70 FDIDRO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000159639770 524712941 /nfs/dbraw/zinc/71/29/41/524712941.db2.gz AUXROBVATZTBMF-ROUUACIJSA-N 1 0 367.534 1.480 20 70 FDIDRO O=C(NCC[NH2+]C1CCCCCC1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000159668378 524717324 /nfs/dbraw/zinc/71/73/24/524717324.db2.gz QLMWYATULCEVLF-LJQANCHMSA-N 1 0 373.497 1.843 20 70 FDIDRO O=C(CNS(=O)(=O)c1cccs1)NCC[NH2+]C1CCCCCC1 ZINC000159676506 524719740 /nfs/dbraw/zinc/71/97/40/524719740.db2.gz MZGKYADEGSMELU-UHFFFAOYSA-N 1 0 359.517 1.455 20 70 FDIDRO O=C(NC1CC1)c1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000159693426 524720901 /nfs/dbraw/zinc/72/09/01/524720901.db2.gz SOFFLHYROJPTBN-UHFFFAOYSA-N 1 0 371.481 1.763 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc(CN3CCOCC3)c2)CC1 ZINC000159702567 524723089 /nfs/dbraw/zinc/72/30/89/524723089.db2.gz GOCFJWAAKFTJCA-UHFFFAOYSA-N 1 0 360.502 1.756 20 70 FDIDRO CC[C@H](CO)[NH+]1CCN([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000159742452 524731790 /nfs/dbraw/zinc/73/17/90/524731790.db2.gz KMLNFNMETTZKME-HUUCEWRRSA-N 1 0 370.291 1.364 20 70 FDIDRO CCN(C(=O)CN(CCc1nccs1)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000159790382 524738968 /nfs/dbraw/zinc/73/89/68/524738968.db2.gz YLESWPYSXCJTAN-CQSZACIVSA-N 1 0 373.544 1.432 20 70 FDIDRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159797576 524741641 /nfs/dbraw/zinc/74/16/41/524741641.db2.gz FHUAGWFJIQIWTD-CVEARBPZSA-N 1 0 367.515 1.880 20 70 FDIDRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000159812504 524743616 /nfs/dbraw/zinc/74/36/16/524743616.db2.gz GXNFFYATDBCQCJ-JXFKEZNVSA-N 1 0 359.470 1.433 20 70 FDIDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159863996 524754589 /nfs/dbraw/zinc/75/45/89/524754589.db2.gz UZCCBBRMMILRPC-WMLDXEAASA-N 1 0 365.441 1.847 20 70 FDIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000159944391 524773053 /nfs/dbraw/zinc/77/30/53/524773053.db2.gz QYGVUCJCSYYXQU-UHFFFAOYSA-N 1 0 364.515 1.477 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000159960542 524778803 /nfs/dbraw/zinc/77/88/03/524778803.db2.gz MUKDACASHJXFAZ-LJQANCHMSA-N 1 0 361.486 1.224 20 70 FDIDRO O=C(C[N@H+]1CCCC[C@@H]1CO)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000159977765 524780918 /nfs/dbraw/zinc/78/09/18/524780918.db2.gz UYDWHYNZJALSIL-GOSISDBHSA-N 1 0 359.470 1.254 20 70 FDIDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(CS(C)(=O)=O)o2)c1 ZINC000159988939 524782163 /nfs/dbraw/zinc/78/21/63/524782163.db2.gz KJEYYLXICGNWSB-UHFFFAOYSA-N 1 0 350.440 1.816 20 70 FDIDRO O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159991528 524784661 /nfs/dbraw/zinc/78/46/61/524784661.db2.gz NMVDNCHIUYGICW-RTBURBONSA-N 1 0 373.497 1.183 20 70 FDIDRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000160127503 524814797 /nfs/dbraw/zinc/81/47/97/524814797.db2.gz NOURQRKRCOLNSX-IRXDYDNUSA-N 1 0 361.490 1.136 20 70 FDIDRO CC(C)([NH3+])CNC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000160121643 524814884 /nfs/dbraw/zinc/81/48/84/524814884.db2.gz SMVMXKPPGPBGNR-CQSZACIVSA-N 1 0 364.515 1.792 20 70 FDIDRO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000160218480 524832387 /nfs/dbraw/zinc/83/23/87/524832387.db2.gz LKQGAYMYFIWSGA-DOTOQJQBSA-N 1 0 361.490 1.400 20 70 FDIDRO C[NH+](C)[C@@H](CNC(=O)CN1CCCC[C@@H]1c1nc[nH]n1)c1ccccc1 ZINC000160219713 524835357 /nfs/dbraw/zinc/83/53/57/524835357.db2.gz UHWKXEBRCHWZOM-SJORKVTESA-N 1 0 356.474 1.751 20 70 FDIDRO CC(C)NC(=O)Nc1ccccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160248147 524840571 /nfs/dbraw/zinc/84/05/71/524840571.db2.gz PMFWTAJRJZESRL-HNNXBMFYSA-N 1 0 362.474 1.793 20 70 FDIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(Cc2ccccn2)CC1 ZINC000160329181 524859187 /nfs/dbraw/zinc/85/91/87/524859187.db2.gz SXWXISQNBMPWED-SFHVURJKSA-N 1 0 357.502 1.926 20 70 FDIDRO C[C@H](NC(=O)CC1CCCCC1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160436518 524889513 /nfs/dbraw/zinc/88/95/13/524889513.db2.gz ZYKDREHCSDAJOL-RDJZCZTQSA-N 1 0 353.507 1.425 20 70 FDIDRO CNC(=O)CN1CCC(NC(=O)N[C@@H](C)C[C@H](O)c2ccccc2)CC1 ZINC000160447551 524891952 /nfs/dbraw/zinc/89/19/52/524891952.db2.gz BUGJSBIBMMGEKZ-YOEHRIQHSA-N 1 0 362.474 1.008 20 70 FDIDRO CC(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160447041 524892427 /nfs/dbraw/zinc/89/24/27/524892427.db2.gz YJMKMVKNXMLSGO-GBESFXJTSA-N 1 0 373.497 1.385 20 70 FDIDRO CN(C)C(=O)c1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160515947 524905397 /nfs/dbraw/zinc/90/53/97/524905397.db2.gz OLXHVAFVWDADCJ-RBUKOAKNSA-N 1 0 373.497 1.886 20 70 FDIDRO CC(C)c1nnc(/C=C/C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)o1 ZINC000160523549 524907828 /nfs/dbraw/zinc/90/78/28/524907828.db2.gz XUPJLNAEUKZLCI-IBHATUTGSA-N 1 0 370.453 1.958 20 70 FDIDRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(=O)NCC(F)(F)F ZINC000160520429 524908716 /nfs/dbraw/zinc/90/87/16/524908716.db2.gz ZIIKGNBBVVQYIH-QMMMGPOBSA-N 1 0 352.744 1.720 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000160570877 524919051 /nfs/dbraw/zinc/91/90/51/524919051.db2.gz GTWGOLQBNQGCLD-UKRRQHHQSA-N 1 0 369.387 1.874 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000160585358 524922733 /nfs/dbraw/zinc/92/27/33/524922733.db2.gz QTBIXNOTDPJPNZ-CQSZACIVSA-N 1 0 364.446 1.055 20 70 FDIDRO C[NH+](C)CCN(C(=O)NCCNC(=O)c1cccs1)C1CCCC1 ZINC000160636352 524935077 /nfs/dbraw/zinc/93/50/77/524935077.db2.gz GPKWHXOEKFLBFM-UHFFFAOYSA-N 1 0 352.504 1.994 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[C@H]1COc2ccccc2O1 ZINC000160686778 524949304 /nfs/dbraw/zinc/94/93/04/524949304.db2.gz SKNCZCYDRSNRRK-TXPKVOOTSA-N 1 0 360.454 1.711 20 70 FDIDRO CCn1nccc1/C=C/C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160706704 524954056 /nfs/dbraw/zinc/95/40/56/524954056.db2.gz QEICBPLOSOWFQX-WARJXXDVSA-N 1 0 354.454 1.668 20 70 FDIDRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000160705019 524954386 /nfs/dbraw/zinc/95/43/86/524954386.db2.gz RUHXPHHOUWQHRU-JFRXWTBNSA-N 1 0 364.534 1.754 20 70 FDIDRO CN(C[C@H](O)COCc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160725974 524957879 /nfs/dbraw/zinc/95/78/79/524957879.db2.gz BRJZHCZAYSPVHK-OALUTQOASA-N 1 0 361.486 1.690 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(-n2cccn2)n1 ZINC000160763549 524965663 /nfs/dbraw/zinc/96/56/63/524965663.db2.gz BNMREUDTWASMOW-MSOLQXFVSA-N 1 0 369.469 1.765 20 70 FDIDRO Cc1c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cccc1S(N)(=O)=O ZINC000160769327 524966227 /nfs/dbraw/zinc/96/62/27/524966227.db2.gz BVQQDULZSTUODV-DZGCQCFKSA-N 1 0 351.472 1.199 20 70 FDIDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)CCC(=O)OCc2ccccc2)CC[N@@H+]1C ZINC000160843299 524981821 /nfs/dbraw/zinc/98/18/21/524981821.db2.gz VIMHQJCFPAKNJS-WBVHZDCISA-N 1 0 368.499 1.864 20 70 FDIDRO CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC000160881945 524988455 /nfs/dbraw/zinc/98/84/55/524988455.db2.gz JIHLPIHQUAMIDS-HKUYNNGSSA-N 1 0 363.550 1.425 20 70 FDIDRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCCCCC[C@H]1[NH3+])CC2 ZINC000160880804 524989110 /nfs/dbraw/zinc/98/91/10/524989110.db2.gz TWXDHYSGLWESKV-HZPDHXFCSA-N 1 0 365.499 1.782 20 70 FDIDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000160887981 524989730 /nfs/dbraw/zinc/98/97/30/524989730.db2.gz WVJLHUZSEMQAOZ-CHWSQXEVSA-N 1 0 357.480 1.095 20 70 FDIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000160915146 524996971 /nfs/dbraw/zinc/99/69/71/524996971.db2.gz XGVQPNVNJNACOR-CHWSQXEVSA-N 1 0 357.480 1.095 20 70 FDIDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(CS(N)(=O)=O)CC2)CC1 ZINC000161192633 525052271 /nfs/dbraw/zinc/05/22/71/525052271.db2.gz UTDPECGGKPSCAC-UHFFFAOYSA-N 1 0 359.536 1.272 20 70 FDIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000161201227 525053907 /nfs/dbraw/zinc/05/39/07/525053907.db2.gz MVHGEBAHWWFOGQ-KFWWJZLASA-N 1 0 362.478 1.008 20 70 FDIDRO CNC(=O)[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000161219801 525058287 /nfs/dbraw/zinc/05/82/87/525058287.db2.gz XLGQNLJHIMMBBC-DOTOQJQBSA-N 1 0 373.501 1.775 20 70 FDIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000161290310 525075227 /nfs/dbraw/zinc/07/52/27/525075227.db2.gz PPYSGDKXIMRRIM-QGZVFWFLSA-N 1 0 363.502 1.336 20 70 FDIDRO CC(=O)NC1CCC([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)CC1 ZINC000161323966 525080409 /nfs/dbraw/zinc/08/04/09/525080409.db2.gz WJXDNCXNPPEMLG-UHFFFAOYSA-N 1 0 373.497 1.923 20 70 FDIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000161392833 525098946 /nfs/dbraw/zinc/09/89/46/525098946.db2.gz REMXQFSURNLCPH-GOSISDBHSA-N 1 0 374.529 1.962 20 70 FDIDRO C[C@H](Cn1cncn1)NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000161420613 525104784 /nfs/dbraw/zinc/10/47/84/525104784.db2.gz JBCBRYJRUVQFFF-OAHLLOKOSA-N 1 0 357.462 1.620 20 70 FDIDRO CC[C@@H](C)OCC(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000161449930 525109673 /nfs/dbraw/zinc/10/96/73/525109673.db2.gz GGXJCEVYYNKLIK-MRXNPFEDSA-N 1 0 350.459 1.829 20 70 FDIDRO COc1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1OC ZINC000218103996 537459557 /nfs/dbraw/zinc/45/95/57/537459557.db2.gz OVRVDAPWNVJFLH-CYBMUJFWSA-N 1 0 363.439 1.656 20 70 FDIDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(S(=O)(=O)F)ccn2)C1 ZINC001164734889 720534720 /nfs/dbraw/zinc/53/47/20/720534720.db2.gz LAMMOXDKOOJHKG-LBPRGKRZSA-N 1 0 353.423 1.134 20 70 FDIDRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159377392 173675578 /nfs/dbraw/zinc/67/55/78/173675578.db2.gz YKSOJVXSWQZAKE-MLGOLLRUSA-N 1 0 371.890 1.219 20 70 FDIDRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCCC[NH3+])cc2)C1 ZINC000160155876 173700736 /nfs/dbraw/zinc/70/07/36/173700736.db2.gz LCGYCIJXUILXLN-OKILXGFUSA-N 1 0 353.488 1.432 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000160747889 173720292 /nfs/dbraw/zinc/72/02/92/173720292.db2.gz SQAGUXGFRSQMMQ-FZMZJTMJSA-N 1 0 371.359 1.758 20 70 FDIDRO CCOc1ccccc1N(C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000159393956 524660890 /nfs/dbraw/zinc/66/08/90/524660890.db2.gz IGPYPLWXWMJULX-KRWDZBQOSA-N 1 0 363.502 1.995 20 70 FDIDRO CCC(CC)[C@@H](CNC(=O)N[C@H]1CCc2n[nH]cc2C1)[NH+]1CCOCC1 ZINC000159430386 524668863 /nfs/dbraw/zinc/66/88/63/524668863.db2.gz GDTSEERTKMLVHH-FUHWJXTLSA-N 1 0 363.506 1.703 20 70 FDIDRO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159470450 524679564 /nfs/dbraw/zinc/67/95/64/524679564.db2.gz RLBRXDFCWPVIDR-PVAVHDDUSA-N 1 0 362.470 1.598 20 70 FDIDRO C[N@@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C[C@@H]1CCC[C@@H]1O ZINC000159589556 524703203 /nfs/dbraw/zinc/70/32/03/524703203.db2.gz NHUQZIFKMLKGCI-SZMVWBNQSA-N 1 0 350.434 1.818 20 70 FDIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000159593751 524704916 /nfs/dbraw/zinc/70/49/16/524704916.db2.gz JKCRYLLZCSCZIT-KRWDZBQOSA-N 1 0 364.465 1.927 20 70 FDIDRO Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1-n1cnnn1 ZINC000159603948 524706078 /nfs/dbraw/zinc/70/60/78/524706078.db2.gz GISKJJSLEIYRIV-RHSMWYFYSA-N 1 0 355.446 1.919 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)CC1 ZINC000159604587 524706941 /nfs/dbraw/zinc/70/69/41/524706941.db2.gz MMGRUMARUDGDCT-MRXNPFEDSA-N 1 0 361.490 1.544 20 70 FDIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000159669058 524717298 /nfs/dbraw/zinc/71/72/98/524717298.db2.gz LCCQPEOLUUGMPH-ZIAGYGMSSA-N 1 0 351.495 1.578 20 70 FDIDRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000159826851 524746234 /nfs/dbraw/zinc/74/62/34/524746234.db2.gz NWPYLKDRQPYVJC-WIYYLYMNSA-N 1 0 366.465 1.368 20 70 FDIDRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000159837350 524748847 /nfs/dbraw/zinc/74/88/47/524748847.db2.gz XKMQBIDUWOZITM-IFMALSPDSA-N 1 0 365.477 1.973 20 70 FDIDRO COc1cccc(CN(C)C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1OC ZINC000159847487 524750820 /nfs/dbraw/zinc/75/08/20/524750820.db2.gz KFNSHXQFHCNUJE-HOCLYGCPSA-N 1 0 350.459 1.755 20 70 FDIDRO Cc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc(S(N)(=O)=O)c1C ZINC000159855264 524752866 /nfs/dbraw/zinc/75/28/66/524752866.db2.gz AQIJQPFFMNXEBV-UHFFFAOYSA-N 1 0 365.499 1.555 20 70 FDIDRO Cc1c(C[NH2+]C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cnn1C ZINC000159869677 524756855 /nfs/dbraw/zinc/75/68/55/524756855.db2.gz WTYTWERPKLQBRS-UHFFFAOYSA-N 1 0 362.499 1.980 20 70 FDIDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000159873054 524757628 /nfs/dbraw/zinc/75/76/28/524757628.db2.gz GJJNJCMLWPMHAF-ZIAGYGMSSA-N 1 0 370.457 1.043 20 70 FDIDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](CO)Cc3ccccc3)c2)CC1 ZINC000159940030 524772278 /nfs/dbraw/zinc/77/22/78/524772278.db2.gz XEMQASRSGDGDLJ-OAQYLSRUSA-N 1 0 367.493 1.767 20 70 FDIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(NC(N)=O)CC1 ZINC000159999210 524785067 /nfs/dbraw/zinc/78/50/67/524785067.db2.gz DOTKYRUZNFPWDW-YOEHRIQHSA-N 1 0 359.474 1.349 20 70 FDIDRO COCCN(C)S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160012362 524789285 /nfs/dbraw/zinc/78/92/85/524789285.db2.gz OONCQGYRSMLMSS-AEFFLSMTSA-N 1 0 369.531 1.794 20 70 FDIDRO CC[NH+]1CCN(CCNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000160081377 524804507 /nfs/dbraw/zinc/80/45/07/524804507.db2.gz HCUNGMDPKXOYIB-WMLDXEAASA-N 1 0 364.515 1.021 20 70 FDIDRO O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@H]1CCC[NH2+]C1 ZINC000160086369 524805364 /nfs/dbraw/zinc/80/53/64/524805364.db2.gz SYEGCYPGQHOYDX-SMDDNHRTSA-N 1 0 355.360 1.927 20 70 FDIDRO CC(C)c1n[nH]c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1Br ZINC000160083689 524805725 /nfs/dbraw/zinc/80/57/25/524805725.db2.gz IQZUSHABNOPMDE-NSHDSACASA-N 1 0 373.295 1.872 20 70 FDIDRO O=C(CCC(=O)N1CC(=O)Nc2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160092535 524808099 /nfs/dbraw/zinc/80/80/99/524808099.db2.gz LFTTVMXBKRAJAR-OKILXGFUSA-N 1 0 356.426 1.105 20 70 FDIDRO Cc1noc(C)c1[C@@H](C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000160157440 524821324 /nfs/dbraw/zinc/82/13/24/524821324.db2.gz SPRXUFORCZQLOG-BBRMVZONSA-N 1 0 362.474 1.550 20 70 FDIDRO CCN(C(=O)NCCN1C(=O)CCC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160207851 524830085 /nfs/dbraw/zinc/83/00/85/524830085.db2.gz GPVZLQICVVNAOO-KRWDZBQOSA-N 1 0 372.469 1.441 20 70 FDIDRO Cc1csc(=O)n1CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160232585 524836666 /nfs/dbraw/zinc/83/66/66/524836666.db2.gz GVWFWLOOUPCMGU-CVEARBPZSA-N 1 0 367.515 1.492 20 70 FDIDRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000160229321 524837605 /nfs/dbraw/zinc/83/76/05/524837605.db2.gz ZLCAALYUNNBQBK-TZMCWYRMSA-N 1 0 355.360 1.614 20 70 FDIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)c1ccc(-n2ccnc2)nc1 ZINC000160243582 524839000 /nfs/dbraw/zinc/83/90/00/524839000.db2.gz WXJCGCRDCCADDB-UHFFFAOYSA-N 1 0 357.458 1.698 20 70 FDIDRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000160264920 524844363 /nfs/dbraw/zinc/84/43/63/524844363.db2.gz RIZFFIKONSUQGD-KGLIPLIRSA-N 1 0 351.397 1.301 20 70 FDIDRO [NH3+][C@@H]1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000160266924 524846432 /nfs/dbraw/zinc/84/64/32/524846432.db2.gz FVSIJGARMLPKLB-SNVBAGLBSA-N 1 0 358.211 1.268 20 70 FDIDRO CO[C@@]1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCOC1 ZINC000160350804 524865875 /nfs/dbraw/zinc/86/58/75/524865875.db2.gz XEETUAYQKCEMSY-UKRRQHHQSA-N 1 0 360.248 1.584 20 70 FDIDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160354913 524866587 /nfs/dbraw/zinc/86/65/87/524866587.db2.gz LGLWWMJSHDKORU-DLBZAZTESA-N 1 0 366.506 1.140 20 70 FDIDRO CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160363880 524868460 /nfs/dbraw/zinc/86/84/60/524868460.db2.gz QNKVTPJECGRVOC-ZWKOTPCHSA-N 1 0 361.486 1.404 20 70 FDIDRO C[NH+]1CCN(c2ccc(NC(=O)CCNC(=O)C3CCCCC3)nc2)CC1 ZINC000160369308 524869902 /nfs/dbraw/zinc/86/99/02/524869902.db2.gz XWGHXIFJAFTTQT-UHFFFAOYSA-N 1 0 373.501 1.859 20 70 FDIDRO O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000160391177 524876055 /nfs/dbraw/zinc/87/60/55/524876055.db2.gz OGLVAJXYZXOHTB-IRXDYDNUSA-N 1 0 365.474 1.990 20 70 FDIDRO C[NH+](C)[C@H](CNC(=O)c1ccnc2c(C(N)=O)cnn21)C1CCCCC1 ZINC000160400730 524878676 /nfs/dbraw/zinc/87/86/76/524878676.db2.gz LIOZUNYYPOCIMG-OAHLLOKOSA-N 1 0 358.446 1.069 20 70 FDIDRO CSc1ccc(O[C@H](C)C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160641326 524936404 /nfs/dbraw/zinc/93/64/04/524936404.db2.gz JYROGMDNFSYSFL-CQSZACIVSA-N 1 0 352.500 1.996 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ncn(-c2ccccc2)n1 ZINC000160648858 524938290 /nfs/dbraw/zinc/93/82/90/524938290.db2.gz OZLAKIJJWTWIOU-ROUUACIJSA-N 1 0 369.469 1.765 20 70 FDIDRO C[C@@H](C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000160717569 524954976 /nfs/dbraw/zinc/95/49/76/524954976.db2.gz KLEBCPJFHMDCDG-KDOFPFPSSA-N 1 0 371.441 1.017 20 70 FDIDRO Cn1ccnc1CN1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160728717 524958541 /nfs/dbraw/zinc/95/85/41/524958541.db2.gz VYJFDNNBKYHESJ-UHFFFAOYSA-N 1 0 371.367 1.529 20 70 FDIDRO C[C@@H](CC(=O)c1cccs1)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000160811828 524974989 /nfs/dbraw/zinc/97/49/89/524974989.db2.gz LIYXHPUQSFUWGD-QWHCGFSZSA-N 1 0 351.472 1.236 20 70 FDIDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000160846409 524980814 /nfs/dbraw/zinc/98/08/14/524980814.db2.gz FPXUTEAKRHVXDC-AWEZNQCLSA-N 1 0 371.507 1.294 20 70 FDIDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccccc1-n1cccn1 ZINC000160857027 524984360 /nfs/dbraw/zinc/98/43/60/524984360.db2.gz NMGUCXCYSSGSLR-CABCVRRESA-N 1 0 369.469 1.648 20 70 FDIDRO C[C@H]1C[NH+](CC2CCN(C(=O)CNC(=O)c3cccnc3)CC2)C[C@H](C)O1 ZINC000160914145 524997111 /nfs/dbraw/zinc/99/71/11/524997111.db2.gz ZOZQKEUXKZRGRF-HOTGVXAUSA-N 1 0 374.485 1.159 20 70 FDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000160918585 524997129 /nfs/dbraw/zinc/99/71/29/524997129.db2.gz BQQUYJSQMBOXPJ-MSOLQXFVSA-N 1 0 363.506 1.804 20 70 FDIDRO NC(=O)CNC(=O)c1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000160963157 525004167 /nfs/dbraw/zinc/00/41/67/525004167.db2.gz CJJDSSOMNRIFAT-UHFFFAOYSA-N 1 0 372.391 1.018 20 70 FDIDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)CC2 ZINC000160974099 525007436 /nfs/dbraw/zinc/00/74/36/525007436.db2.gz GCGCLUDYAUHBHY-SFHVURJKSA-N 1 0 353.422 1.687 20 70 FDIDRO Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)CCC2 ZINC000161012699 525016100 /nfs/dbraw/zinc/01/61/00/525016100.db2.gz YCXQPESSQPNRQH-AWEZNQCLSA-N 1 0 358.467 1.834 20 70 FDIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](CC)CC(C)(C)O)nc(N)c21 ZINC000161116890 525037629 /nfs/dbraw/zinc/03/76/29/525037629.db2.gz QVPJFRDASPMHNJ-UHFFFAOYSA-N 1 0 350.419 1.883 20 70 FDIDRO Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)nnn1C1CC[NH2+]CC1 ZINC000161214489 525056103 /nfs/dbraw/zinc/05/61/03/525056103.db2.gz JLJIZROMQRKVBK-CVEARBPZSA-N 1 0 357.462 1.621 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)co1 ZINC000161216112 525056993 /nfs/dbraw/zinc/05/69/93/525056993.db2.gz ARJYCEPXSBMNAC-AWEZNQCLSA-N 1 0 357.476 1.428 20 70 FDIDRO O=C(C[C@]1(C(=O)N2C[C@@H]3CCC[C@@H]3C2)CC[NH2+]C1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000161229941 525060811 /nfs/dbraw/zinc/06/08/11/525060811.db2.gz BPCMWUBGPNLAJU-OHHNFCFSSA-N 1 0 359.514 1.873 20 70 FDIDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2)[NH+](C)C ZINC000161234930 525062892 /nfs/dbraw/zinc/06/28/92/525062892.db2.gz YQSLBRGYZYYFQO-MRXNPFEDSA-N 1 0 374.485 1.346 20 70 FDIDRO Cc1ccc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)c(Cl)c1 ZINC000161301839 525076741 /nfs/dbraw/zinc/07/67/41/525076741.db2.gz QGJLVEHGZSEISZ-UHFFFAOYSA-N 1 0 364.895 1.210 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000161300825 525076855 /nfs/dbraw/zinc/07/68/55/525076855.db2.gz XTWGGPYNKTXNOH-LLVKDONJSA-N 1 0 359.879 1.414 20 70 FDIDRO CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H]([NH+]3CCCC3)C1)CC2 ZINC000161450617 525111678 /nfs/dbraw/zinc/11/16/78/525111678.db2.gz YWJVMUZEVYNOQU-HZPDHXFCSA-N 1 0 360.506 1.986 20 70 FDIDRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000161452743 525112775 /nfs/dbraw/zinc/11/27/75/525112775.db2.gz MPLWZYZNGDGYBU-CQSZACIVSA-N 1 0 367.874 1.058 20 70 FDIDRO COc1ccc([C@H](C)NC(=O)N2CCC([N@H+](C)CCO)CC2)cc1F ZINC000161452949 525112900 /nfs/dbraw/zinc/11/29/00/525112900.db2.gz MKAZJBUPOYGBIU-ZDUSSCGKSA-N 1 0 353.438 1.993 20 70 FDIDRO CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)C[NH2+]CC3CC3)CC2)cc1 ZINC000159818178 173689469 /nfs/dbraw/zinc/68/94/69/173689469.db2.gz VNIAGXKHXBTVJC-INIZCTEOSA-N 1 0 373.497 1.687 20 70 FDIDRO COc1ccc(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160269301 173705008 /nfs/dbraw/zinc/70/50/08/173705008.db2.gz LDJYDICUMNIIDY-OALUTQOASA-N 1 0 362.470 1.958 20 70 FDIDRO C[NH+](C)C1(CNC(=O)N2CCO[C@@H](c3cccs3)C2)CCOCC1 ZINC000161137195 173731646 /nfs/dbraw/zinc/73/16/46/173731646.db2.gz OZVGOUFRZUMWIQ-CQSZACIVSA-N 1 0 353.488 1.942 20 70 FDIDRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC4(CCC4)C3)c2)CC1 ZINC000159373291 524656483 /nfs/dbraw/zinc/65/64/83/524656483.db2.gz ITRWIWNPVUKGAQ-UHFFFAOYSA-N 1 0 370.497 1.775 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)C1 ZINC000159388543 524657275 /nfs/dbraw/zinc/65/72/75/524657275.db2.gz UNUYHFIQWDGIRV-INIZCTEOSA-N 1 0 373.501 1.714 20 70 FDIDRO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159383488 524658492 /nfs/dbraw/zinc/65/84/92/524658492.db2.gz NVJJAXDHIGCSEI-DOTOQJQBSA-N 1 0 350.507 1.048 20 70 FDIDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N(C)CC(=O)N1CCNC(=O)C1 ZINC000159384204 524658696 /nfs/dbraw/zinc/65/86/96/524658696.db2.gz GUCOFAXRVWSNQY-IRXDYDNUSA-N 1 0 372.513 1.033 20 70 FDIDRO CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000159457045 524675213 /nfs/dbraw/zinc/67/52/13/524675213.db2.gz GHIXFRRDWVCKDH-HNNXBMFYSA-N 1 0 374.485 1.469 20 70 FDIDRO COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000159550477 524694620 /nfs/dbraw/zinc/69/46/20/524694620.db2.gz YKILSMNLOAMNHA-MRXNPFEDSA-N 1 0 372.469 1.908 20 70 FDIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000159552286 524695474 /nfs/dbraw/zinc/69/54/74/524695474.db2.gz YOFARTHHWWQSEN-INIZCTEOSA-N 1 0 358.486 1.960 20 70 FDIDRO C[C@]1(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000159662957 524717823 /nfs/dbraw/zinc/71/78/23/524717823.db2.gz BRDYHWIJISELQE-SFHVURJKSA-N 1 0 365.499 1.097 20 70 FDIDRO CC[NH+]1CCN(CCCNC(=O)c2cccc(NC(=O)N(C)C)c2)CC1 ZINC000159809575 524742300 /nfs/dbraw/zinc/74/23/00/524742300.db2.gz BIYCHJZHUOSQIB-UHFFFAOYSA-N 1 0 361.490 1.538 20 70 FDIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000159836463 524749608 /nfs/dbraw/zinc/74/96/08/524749608.db2.gz KCXSSIIKMYTUKK-HNNXBMFYSA-N 1 0 368.428 1.676 20 70 FDIDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159895165 524762930 /nfs/dbraw/zinc/76/29/30/524762930.db2.gz FYFQNVDPGZRQQL-SUMWQHHRSA-N 1 0 351.414 1.457 20 70 FDIDRO CC(C)[C@@H](CNC(=O)N(C)CCC(=O)OC(C)(C)C)[NH+]1CCN(C)CC1 ZINC000159904018 524764938 /nfs/dbraw/zinc/76/49/38/524764938.db2.gz BXSHHAFHLSDVHM-MRXNPFEDSA-N 1 0 370.538 1.632 20 70 FDIDRO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000159945133 524772692 /nfs/dbraw/zinc/77/26/92/524772692.db2.gz WHRPWJNUZDCEGW-JLSDUUJJSA-N 1 0 359.470 1.858 20 70 FDIDRO CCO[C@@H](C)c1nc(CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cs1 ZINC000159960929 524777029 /nfs/dbraw/zinc/77/70/29/524777029.db2.gz WCIDDAHBKDOIGP-DZGCQCFKSA-N 1 0 355.504 1.746 20 70 FDIDRO Cc1nc(-c2ncccn2)sc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160023630 524792799 /nfs/dbraw/zinc/79/27/99/524792799.db2.gz OKIYDGHDHUVFGK-CYBMUJFWSA-N 1 0 361.471 1.485 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(C)(C)[NH3+])C2)cc1 ZINC000160022557 524792954 /nfs/dbraw/zinc/79/29/54/524792954.db2.gz CPRVTXIVKACPBI-AWEZNQCLSA-N 1 0 353.488 1.249 20 70 FDIDRO CC(C)OC(=O)CCCNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000160054981 524798693 /nfs/dbraw/zinc/79/86/93/524798693.db2.gz OLVSECHEIDTYHE-KRWDZBQOSA-N 1 0 368.522 1.530 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160076372 524803366 /nfs/dbraw/zinc/80/33/66/524803366.db2.gz AEECPKGOTPNNOB-BETUJISGSA-N 1 0 350.463 1.968 20 70 FDIDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1Br ZINC000160083790 524804583 /nfs/dbraw/zinc/80/45/83/524804583.db2.gz IQZUSHABNOPMDE-LLVKDONJSA-N 1 0 373.295 1.872 20 70 FDIDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000160102273 524809586 /nfs/dbraw/zinc/80/95/86/524809586.db2.gz QKFNSOHMTJEQBR-SNVBAGLBSA-N 1 0 368.235 1.363 20 70 FDIDRO C[NH+](C)C[C@@H](O)COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000160108702 524809653 /nfs/dbraw/zinc/80/96/53/524809653.db2.gz PWSJYCLOCSEYJT-OAHLLOKOSA-N 1 0 368.430 1.928 20 70 FDIDRO CN(CCS(=O)(=O)c1ccc(Br)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160118702 524812327 /nfs/dbraw/zinc/81/23/27/524812327.db2.gz TWEWAANDLABXNN-AWEZNQCLSA-N 1 0 361.305 1.892 20 70 FDIDRO O=C(NCC1CC1)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160124536 524813833 /nfs/dbraw/zinc/81/38/33/524813833.db2.gz PSLFLKGJUVANJD-QGZVFWFLSA-N 1 0 367.453 1.795 20 70 FDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cccn2c(I)cnc12 ZINC000160154586 524819878 /nfs/dbraw/zinc/81/98/78/524819878.db2.gz VANSYLUGIDWUOY-SECBINFHSA-N 1 0 370.194 1.502 20 70 FDIDRO CC(C)(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000160163482 524823312 /nfs/dbraw/zinc/82/33/12/524823312.db2.gz XUBBSEOUHARGBQ-JKSUJKDBSA-N 1 0 353.507 1.234 20 70 FDIDRO CC(C)OC(=O)CCCNC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000160183993 524826862 /nfs/dbraw/zinc/82/68/62/524826862.db2.gz WVPUWSUPXRVLPX-QGZVFWFLSA-N 1 0 368.522 1.530 20 70 FDIDRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NCCn2cccc2)cc1 ZINC000160201514 524831647 /nfs/dbraw/zinc/83/16/47/524831647.db2.gz PYQVREKBXPVCKD-UHFFFAOYSA-N 1 0 372.469 1.964 20 70 FDIDRO CS(=O)(=O)Cc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000160330026 524858073 /nfs/dbraw/zinc/85/80/73/524858073.db2.gz DIBXFBLEWMXUBY-UHFFFAOYSA-N 1 0 370.471 1.009 20 70 FDIDRO CN1C(=O)C[C@H](C(=O)NCC2([NH+](C)C)CCOCC2)[C@H]1c1cccs1 ZINC000160335176 524859923 /nfs/dbraw/zinc/85/99/23/524859923.db2.gz JKKXWUCTPKMCLW-BBRMVZONSA-N 1 0 365.499 1.495 20 70 FDIDRO CN(C[C@H]1CCC[C@@H]1O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000160333967 524860789 /nfs/dbraw/zinc/86/07/89/524860789.db2.gz IBZDQKCIOQYBJN-QAPCUYQASA-N 1 0 352.523 1.347 20 70 FDIDRO CN(C)C(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160357896 524867780 /nfs/dbraw/zinc/86/77/80/524867780.db2.gz VKUATYJXOSLHOM-RTBURBONSA-N 1 0 373.497 1.886 20 70 FDIDRO Cc1ccc(F)c(OCC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000160374175 524870459 /nfs/dbraw/zinc/87/04/59/524870459.db2.gz JWWTXQGLZUOXJL-MRXNPFEDSA-N 1 0 365.449 1.572 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCc2ccc(C(N)=O)cc2)CC[N@@H+]1CCOC ZINC000160410152 524879562 /nfs/dbraw/zinc/87/95/62/524879562.db2.gz JTZQAPVEXGTFCN-QGZVFWFLSA-N 1 0 362.474 1.428 20 70 FDIDRO CN1CC[NH+](CCCCNC(=O)c2ccnc(OCC(F)(F)F)c2)CC1 ZINC000160410621 524881750 /nfs/dbraw/zinc/88/17/50/524881750.db2.gz YDZAEENAJVZSMO-UHFFFAOYSA-N 1 0 374.407 1.780 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000160412344 524883261 /nfs/dbraw/zinc/88/32/61/524883261.db2.gz GFZRGYNQXTXOTJ-LSDHHAIUSA-N 1 0 367.490 1.602 20 70 FDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)CC2 ZINC000160441164 524888896 /nfs/dbraw/zinc/88/88/96/524888896.db2.gz RQCVDLMMKUNQDQ-GWCFXTLKSA-N 1 0 352.435 1.795 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)CS(=O)(=O)c1ccc(C(C)=O)c(F)c1 ZINC000160481586 524898486 /nfs/dbraw/zinc/89/84/86/524898486.db2.gz ILJNFGJEXAKMNF-UHFFFAOYSA-N 1 0 358.435 1.436 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c(C)o1 ZINC000160492950 524901718 /nfs/dbraw/zinc/90/17/18/524901718.db2.gz MGNVMZJSSVMYGG-CYBMUJFWSA-N 1 0 357.476 1.346 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000160493064 524901781 /nfs/dbraw/zinc/90/17/81/524901781.db2.gz FMARFQUSZHYPJJ-IBGZPJMESA-N 1 0 358.442 1.014 20 70 FDIDRO CCc1[nH]c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C)c1C(=O)OC ZINC000160494362 524902120 /nfs/dbraw/zinc/90/21/20/524902120.db2.gz PYFKEJXORHIFGZ-ZDUSSCGKSA-N 1 0 351.447 1.249 20 70 FDIDRO COc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1OC(F)F ZINC000160549396 524914025 /nfs/dbraw/zinc/91/40/25/524914025.db2.gz JEMKJMGMXSSLAM-GFCCVEGCSA-N 1 0 358.385 1.873 20 70 FDIDRO CC(C)(C)CC(=O)NCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160676932 524944252 /nfs/dbraw/zinc/94/42/52/524944252.db2.gz VJURFFFYADMUQX-CVEARBPZSA-N 1 0 353.507 1.423 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1COc2ccccc2O1 ZINC000160686513 524948524 /nfs/dbraw/zinc/94/85/24/524948524.db2.gz SKNCZCYDRSNRRK-JTDSTZFVSA-N 1 0 360.454 1.711 20 70 FDIDRO Cc1cc(C)n(Cc2ccc(C(=O)NCC3CC[NH+](CCO)CC3)cc2)n1 ZINC000160702297 524951033 /nfs/dbraw/zinc/95/10/33/524951033.db2.gz XZJZTAUXGQQUEL-UHFFFAOYSA-N 1 0 370.497 1.982 20 70 FDIDRO Cc1ccc(NC(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000160825447 524979077 /nfs/dbraw/zinc/97/90/77/524979077.db2.gz HRVHPMOJFAATJA-UHFFFAOYSA-N 1 0 356.426 1.585 20 70 FDIDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@H](C)[C@@H]3C)cn2)CC1 ZINC000160839853 524982196 /nfs/dbraw/zinc/98/21/96/524982196.db2.gz IPNQYHLPPISNPJ-JKSUJKDBSA-N 1 0 361.490 1.542 20 70 FDIDRO CC(C)[NH+](CCSCCn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)C ZINC000160927713 524997657 /nfs/dbraw/zinc/99/76/57/524997657.db2.gz PCZOCFJSKRRBBI-UHFFFAOYSA-N 1 0 367.519 1.286 20 70 FDIDRO Cc1c(CNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cnn1C ZINC000160948025 525003055 /nfs/dbraw/zinc/00/30/55/525003055.db2.gz XBAQYYQMRYHXGE-UHFFFAOYSA-N 1 0 372.473 1.019 20 70 FDIDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)CC1=O ZINC000161106894 525034519 /nfs/dbraw/zinc/03/45/19/525034519.db2.gz XCIKQPATKJJFNA-YSVLISHTSA-N 1 0 361.490 1.098 20 70 FDIDRO COc1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1OC ZINC000161118432 525036835 /nfs/dbraw/zinc/03/68/35/525036835.db2.gz AQGFRIOUGRDJDR-UZLBHIALSA-N 1 0 362.470 1.947 20 70 FDIDRO CC(C)[N@H+]1C[C@H](NC(=O)Cn2cnc3c4ccccc4oc3c2=O)[C@@H](C)C1 ZINC000161138192 525042531 /nfs/dbraw/zinc/04/25/31/525042531.db2.gz YGEPETLIAKQATD-ZFWWWQNUSA-N 1 0 368.437 1.988 20 70 FDIDRO CCS(=O)(=O)NCc1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000161156731 525045220 /nfs/dbraw/zinc/04/52/20/525045220.db2.gz PFCSEHZUEVFHRI-INIZCTEOSA-N 1 0 353.488 1.196 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 ZINC000161196900 525052568 /nfs/dbraw/zinc/05/25/68/525052568.db2.gz QQKXTGFWFKXQME-CYBMUJFWSA-N 1 0 355.460 1.197 20 70 FDIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000161253518 525065518 /nfs/dbraw/zinc/06/55/18/525065518.db2.gz HMWCRELVWYFNCP-IAGOWNOFSA-N 1 0 359.470 1.433 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1sc2nc(COC)nc(OC)c2c1C ZINC000161310521 525078790 /nfs/dbraw/zinc/07/87/90/525078790.db2.gz VDTYFFOODDEZJZ-NSHDSACASA-N 1 0 364.471 1.979 20 70 FDIDRO Cc1c(NC(=O)C(=O)N2CCN(C)C[C@H]2C(C)C)cnn1-c1ccccc1 ZINC000161333026 525083350 /nfs/dbraw/zinc/08/33/50/525083350.db2.gz XWIIVWCSFNCLMJ-SFHVURJKSA-N 1 0 369.469 1.918 20 70 FDIDRO CSc1nc(C)c(CCC(=O)N[C@H]2CCN(c3ccccn3)C2)c(=O)[nH]1 ZINC000161344376 525085173 /nfs/dbraw/zinc/08/51/73/525085173.db2.gz GFLXNOQMEKIWDB-ZDUSSCGKSA-N 1 0 373.482 1.523 20 70 FDIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(OC)c2)cc1 ZINC000161366686 525090108 /nfs/dbraw/zinc/09/01/08/525090108.db2.gz DNMPJCPXPLZFRH-FZKQIMNGSA-N 1 0 364.467 1.988 20 70 FDIDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000161382664 525097856 /nfs/dbraw/zinc/09/78/56/525097856.db2.gz HQORTBZMCGTMOG-OAHLLOKOSA-N 1 0 359.536 1.285 20 70 FDIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccc2c(c1)CCCC2 ZINC000161409925 525103472 /nfs/dbraw/zinc/10/34/72/525103472.db2.gz GBUCOCBTHOGJQJ-UHFFFAOYSA-N 1 0 352.500 1.548 20 70 FDIDRO CCC(=O)N1CC[C@H](C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000161435257 525108934 /nfs/dbraw/zinc/10/89/34/525108934.db2.gz FXDJJWZMBNAESS-JZXOWHBKSA-N 1 0 365.518 1.593 20 70 FDIDRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000161450469 525111654 /nfs/dbraw/zinc/11/16/54/525111654.db2.gz HHYXEESHCOHPNT-LBPRGKRZSA-N 1 0 362.442 1.678 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cc(Br)ccc1F ZINC000161482873 525117496 /nfs/dbraw/zinc/11/74/96/525117496.db2.gz JQQMDUWYIOUHQU-GFCCVEGCSA-N 1 0 369.256 1.179 20 70 FDIDRO O=S(=O)(c1ccc(C[NH2+]C(C2CC2)C2CC2)cc1)N1CCOCC1 ZINC000159732337 173686630 /nfs/dbraw/zinc/68/66/30/173686630.db2.gz MKSQTLLUWDIFCD-UHFFFAOYSA-N 1 0 350.484 1.986 20 70 FDIDRO CC1CCN(c2ccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cn2)CC1 ZINC000160017441 173695491 /nfs/dbraw/zinc/69/54/91/173695491.db2.gz MCRQLXIFWUBYAB-GOSISDBHSA-N 1 0 360.502 1.895 20 70 FDIDRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000160156898 173700514 /nfs/dbraw/zinc/70/05/14/173700514.db2.gz XKAGBIOBRKVJDJ-ZDUSSCGKSA-N 1 0 356.444 1.705 20 70 FDIDRO C[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@@H](c2ccc(F)cc2)O1 ZINC000160507320 173713545 /nfs/dbraw/zinc/71/35/45/173713545.db2.gz LGVFWASZHWAOPN-ACJLOTCBSA-N 1 0 373.432 1.944 20 70 FDIDRO O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1=O)[C@@H]1CCCC[NH2+]1 ZINC000159361790 524650543 /nfs/dbraw/zinc/65/05/43/524650543.db2.gz KHKGESOZEHTZOZ-RYUDHWBXSA-N 1 0 353.369 1.652 20 70 FDIDRO Cc1ccccc1CN(C)C(=O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159377998 524655545 /nfs/dbraw/zinc/65/55/45/524655545.db2.gz XQBNXVJDSLODLJ-IBGZPJMESA-N 1 0 372.513 1.368 20 70 FDIDRO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000159446139 524672182 /nfs/dbraw/zinc/67/21/82/524672182.db2.gz CXTLEYSLTVERCR-HNNXBMFYSA-N 1 0 360.458 1.678 20 70 FDIDRO CS(=O)(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159454222 524675031 /nfs/dbraw/zinc/67/50/31/524675031.db2.gz YMJRBEXUHMAXMN-SJORKVTESA-N 1 0 365.499 1.049 20 70 FDIDRO Cc1nc2cc(NC(=O)C(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)ccc2n1C ZINC000159463977 524675769 /nfs/dbraw/zinc/67/57/69/524675769.db2.gz SIWBPFDNLNHEPZ-OAHLLOKOSA-N 1 0 371.485 1.914 20 70 FDIDRO COc1ccc(CN(C)C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1OC ZINC000159460225 524677317 /nfs/dbraw/zinc/67/73/17/524677317.db2.gz CKUXRDCAKLALBH-HOTGVXAUSA-N 1 0 350.459 1.755 20 70 FDIDRO CC(C)CC[NH+]1CCC(CNC(=O)NCC2(CO)CCOCC2)CC1 ZINC000159504823 524688110 /nfs/dbraw/zinc/68/81/10/524688110.db2.gz JSYBBZNNVGUKCD-UHFFFAOYSA-N 1 0 355.523 1.833 20 70 FDIDRO CCOc1ccc(OCCNC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159629700 524710843 /nfs/dbraw/zinc/71/08/43/524710843.db2.gz PQCOYIHARXUODI-QAPCUYQASA-N 1 0 350.459 1.673 20 70 FDIDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H](C)c2c(C)noc2C)CC1 ZINC000159677785 524718919 /nfs/dbraw/zinc/71/89/19/524718919.db2.gz KBLMFVUNTODDEX-LSDHHAIUSA-N 1 0 365.522 1.968 20 70 FDIDRO COC(=O)CCCc1nnc(NC(=O)C2([NH3+])Cc3ccccc3C2)s1 ZINC000159735381 524729342 /nfs/dbraw/zinc/72/93/42/524729342.db2.gz PBFJRWJRWOKVMJ-UHFFFAOYSA-N 1 0 360.439 1.469 20 70 FDIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000159747731 524730808 /nfs/dbraw/zinc/73/08/08/524730808.db2.gz AHGONKLBTHWAEH-VXGBXAGGSA-N 1 0 350.385 1.131 20 70 FDIDRO O=C([C@H]1CCCC[NH2+]1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159794973 524739059 /nfs/dbraw/zinc/73/90/59/524739059.db2.gz ATAJZMJSVHFLFS-QZTJIDSGSA-N 1 0 356.470 1.078 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCC(C)(C)N2CCOCC2)CC[N@@H+]1CCOC ZINC000159812112 524742238 /nfs/dbraw/zinc/74/22/38/524742238.db2.gz BDIUDKREGLNVIZ-KRWDZBQOSA-N 1 0 370.538 1.240 20 70 FDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC(=O)N1CCOCC1 ZINC000159987966 524782063 /nfs/dbraw/zinc/78/20/63/524782063.db2.gz FIUHLVPLBPHQGY-AEFFLSMTSA-N 1 0 374.485 1.007 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H](c1ccccc1)N1CCCCC1=O ZINC000160042989 524793844 /nfs/dbraw/zinc/79/38/44/524793844.db2.gz OWBWFSMJXQDFSU-QUCCMNQESA-N 1 0 373.497 1.703 20 70 FDIDRO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000160053669 524797178 /nfs/dbraw/zinc/79/71/78/524797178.db2.gz HHCCGEQEKMZVQR-RTBURBONSA-N 1 0 371.481 1.139 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(-n2ccnn2)c1 ZINC000160063255 524800470 /nfs/dbraw/zinc/80/04/70/524800470.db2.gz OAWHBENYWFXSMZ-RBUKOAKNSA-N 1 0 369.469 1.765 20 70 FDIDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc3c([nH]c2=O)CCCCC3)CC1 ZINC000160074495 524802695 /nfs/dbraw/zinc/80/26/95/524802695.db2.gz GHDCSZLYWPFHCC-OAHLLOKOSA-N 1 0 360.502 1.400 20 70 FDIDRO CCC1(CC)[C@H](NC(=O)NCCCC[NH+]2CCN(C)CC2)C[C@@H]1OC ZINC000160075609 524802911 /nfs/dbraw/zinc/80/29/11/524802911.db2.gz FAQHFFHSYSRJRV-SJORKVTESA-N 1 0 354.539 1.907 20 70 FDIDRO CCN(c1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1)C(C)C ZINC000160083637 524805769 /nfs/dbraw/zinc/80/57/69/524805769.db2.gz ORGXQFNTWGBEMF-UHFFFAOYSA-N 1 0 360.502 1.767 20 70 FDIDRO O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@H]1CCC[NH2+]C1 ZINC000160086238 524805987 /nfs/dbraw/zinc/80/59/87/524805987.db2.gz SYEGCYPGQHOYDX-FZMZJTMJSA-N 1 0 355.360 1.927 20 70 FDIDRO CN(CCS(=O)(=O)c1ccc(Br)cc1)[C@H](C[NH3+])C1CC1 ZINC000160118828 524813117 /nfs/dbraw/zinc/81/31/17/524813117.db2.gz TWEWAANDLABXNN-CQSZACIVSA-N 1 0 361.305 1.892 20 70 FDIDRO Cc1ccc(CN2C[C@@H](C(=O)NC[C@@H](O)C[NH+]3CCCCC3)CC2=O)cc1 ZINC000160132952 524817367 /nfs/dbraw/zinc/81/73/67/524817367.db2.gz KFQCEPDIIMAQLE-RBUKOAKNSA-N 1 0 373.497 1.307 20 70 FDIDRO C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCN(c2ccc(F)cc2)CC1 ZINC000160156798 524819614 /nfs/dbraw/zinc/81/96/14/524819614.db2.gz QYVUYVGELGECDT-NXHRZFHOSA-N 1 0 360.477 1.689 20 70 FDIDRO C[C@H](CNC(=O)CCN1c2ccccc2CCC1=O)N1CC[NH+](C)CC1 ZINC000160155011 524820755 /nfs/dbraw/zinc/82/07/55/524820755.db2.gz BYHQWKNRRVYRLL-MRXNPFEDSA-N 1 0 358.486 1.108 20 70 FDIDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC([C@@H](C)O)CC2)[C@H](C)C1 ZINC000160150629 524820918 /nfs/dbraw/zinc/82/09/18/524820918.db2.gz DQNAFBRJJASROE-NUJGCVRESA-N 1 0 355.523 1.926 20 70 FDIDRO CCc1nnc(CN[C@@]2(C(=O)OC)CCCN(Cc3ccccc3)C2)[nH]1 ZINC000160206379 524831895 /nfs/dbraw/zinc/83/18/95/524831895.db2.gz YGLGMQPBZXXZMA-IBGZPJMESA-N 1 0 357.458 1.665 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1nc(N2CCCC2)ncc1Cl ZINC000160217004 524832832 /nfs/dbraw/zinc/83/28/32/524832832.db2.gz ZYZIUHXUAYJABC-CYBMUJFWSA-N 1 0 367.881 1.307 20 70 FDIDRO CC(C)NC(=O)Nc1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160248269 524840535 /nfs/dbraw/zinc/84/05/35/524840535.db2.gz PMFWTAJRJZESRL-OAHLLOKOSA-N 1 0 362.474 1.793 20 70 FDIDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000160266481 524845513 /nfs/dbraw/zinc/84/55/13/524845513.db2.gz YKFKRMGQEVWUGY-OAQYLSRUSA-N 1 0 374.529 1.881 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1CC ZINC000160325811 524859022 /nfs/dbraw/zinc/85/90/22/524859022.db2.gz XTGAXROEALICPV-AWEZNQCLSA-N 1 0 363.506 1.911 20 70 FDIDRO O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160332933 524860251 /nfs/dbraw/zinc/86/02/51/524860251.db2.gz KLMQQKOFIYEWEQ-OAHLLOKOSA-N 1 0 372.469 1.209 20 70 FDIDRO O=C(Cn1ncc2ccccc21)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160362236 524869846 /nfs/dbraw/zinc/86/98/46/524869846.db2.gz WBUZZWJRYIHKOY-MOPGFXCFSA-N 1 0 356.470 1.920 20 70 FDIDRO NC(=O)c1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000160470398 524896615 /nfs/dbraw/zinc/89/66/15/524896615.db2.gz VDFRZVKBMFLQED-MSOLQXFVSA-N 1 0 353.422 1.151 20 70 FDIDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccn(CC(F)(F)F)n1 ZINC000160473648 524897268 /nfs/dbraw/zinc/89/72/68/524897268.db2.gz SSUGSFVGHXFZBF-GFCCVEGCSA-N 1 0 363.384 1.804 20 70 FDIDRO C[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)NC(=O)C1CCCCC1 ZINC000160511333 524905947 /nfs/dbraw/zinc/90/59/47/524905947.db2.gz GORMNUTVRHRIML-DOTOQJQBSA-N 1 0 353.507 1.425 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccnc(-n2cccn2)c1 ZINC000160519021 524908255 /nfs/dbraw/zinc/90/82/55/524908255.db2.gz GMXVRYBTSJZWJI-MSOLQXFVSA-N 1 0 369.469 1.765 20 70 FDIDRO CC(=O)N1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC000160532344 524910525 /nfs/dbraw/zinc/91/05/25/524910525.db2.gz DJIQJOFSHOEUSD-GOSISDBHSA-N 1 0 360.502 1.348 20 70 FDIDRO CCS(=O)(=O)NCc1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000160552551 524914934 /nfs/dbraw/zinc/91/49/34/524914934.db2.gz PVEWSAABISGIHY-UHFFFAOYSA-N 1 0 367.515 1.588 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000160559072 524916317 /nfs/dbraw/zinc/91/63/17/524916317.db2.gz CXPSTCWRBDIFCK-MRXNPFEDSA-N 1 0 371.437 1.853 20 70 FDIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000160584557 524923637 /nfs/dbraw/zinc/92/36/37/524923637.db2.gz BVIUDYVXZURWHA-DZGCQCFKSA-N 1 0 359.392 1.544 20 70 FDIDRO O=C(Nc1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1)NC1CC1 ZINC000160584651 524923814 /nfs/dbraw/zinc/92/38/14/524923814.db2.gz VYESGRKSFDXXLE-UHFFFAOYSA-N 1 0 360.458 1.405 20 70 FDIDRO CN(C)c1ncc(Br)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160597161 524924602 /nfs/dbraw/zinc/92/46/02/524924602.db2.gz UNWSCKRBHIZKRL-TXEJJXNPSA-N 1 0 353.264 1.877 20 70 FDIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000160608081 524926789 /nfs/dbraw/zinc/92/67/89/524926789.db2.gz YSYGPOIRNGWRSU-KRWDZBQOSA-N 1 0 372.469 1.344 20 70 FDIDRO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000160657220 524940934 /nfs/dbraw/zinc/94/09/34/524940934.db2.gz BUELUTGPZLNGLJ-XAUMDUMWSA-N 1 0 366.502 1.804 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000160668063 524942447 /nfs/dbraw/zinc/94/24/47/524942447.db2.gz PAQWHMKYNMJWDK-UHFFFAOYSA-N 1 0 362.861 1.960 20 70 FDIDRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160668853 524945615 /nfs/dbraw/zinc/94/56/15/524945615.db2.gz IYWCCZXUHYLXSC-UHFFFAOYSA-N 1 0 356.426 1.382 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000160696160 524950872 /nfs/dbraw/zinc/95/08/72/524950872.db2.gz ZQFNCHFSODXWHU-IBGZPJMESA-N 1 0 363.477 1.611 20 70 FDIDRO CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160706609 524952835 /nfs/dbraw/zinc/95/28/35/524952835.db2.gz ZQARBSXYDXQMPX-HOTGVXAUSA-N 1 0 350.438 1.614 20 70 FDIDRO CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160706736 524952881 /nfs/dbraw/zinc/95/28/81/524952881.db2.gz ZQARBSXYDXQMPX-JKSUJKDBSA-N 1 0 350.438 1.614 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)C1 ZINC000160719548 524955972 /nfs/dbraw/zinc/95/59/72/524955972.db2.gz CKSONMJORBJUGZ-NSHDSACASA-N 1 0 351.357 1.611 20 70 FDIDRO Cc1c(/C=C/C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cnn1C ZINC000160752275 524965102 /nfs/dbraw/zinc/96/51/02/524965102.db2.gz NTRVFUQSFQQURR-HKVOBHHDSA-N 1 0 354.454 1.493 20 70 FDIDRO Cc1cc(C)c(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(=O)[nH]1 ZINC000160780789 524969408 /nfs/dbraw/zinc/96/94/08/524969408.db2.gz IZIYCLLBSOLTKH-IRXDYDNUSA-N 1 0 355.438 1.357 20 70 FDIDRO CCOC(=O)c1c(C)oc2nc(CN3CC[C@@H]([NH+]4CCCC4)C3)nc(N)c21 ZINC000160852509 524983469 /nfs/dbraw/zinc/98/34/69/524983469.db2.gz MUEHYKLZCJYAOO-CYBMUJFWSA-N 1 0 373.457 1.960 20 70 FDIDRO CN(C(=O)[C@H]1CCCN(C(N)=O)C1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160878012 524989143 /nfs/dbraw/zinc/98/91/43/524989143.db2.gz WNZRXSLJKONVDM-INIZCTEOSA-N 1 0 374.485 1.915 20 70 FDIDRO Cc1ccc2c(c1)[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)CO2 ZINC000160906596 524993567 /nfs/dbraw/zinc/99/35/67/524993567.db2.gz DORAJBHOWVQBOT-ZWKOTPCHSA-N 1 0 360.502 2.000 20 70 FDIDRO CN(C)C(=O)CCCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000160916382 524996144 /nfs/dbraw/zinc/99/61/44/524996144.db2.gz YXJLMLLYYBIFQW-UHFFFAOYSA-N 1 0 361.490 1.808 20 70 FDIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000160971367 525006100 /nfs/dbraw/zinc/00/61/00/525006100.db2.gz UXOYXMWDMTWQFX-MRLCAUJQSA-N 1 0 373.563 1.973 20 70 FDIDRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NOCc1cccnc1 ZINC000161009301 525013885 /nfs/dbraw/zinc/01/38/85/525013885.db2.gz MLZHQFXEVOMZBD-UHFFFAOYSA-N 1 0 369.469 1.630 20 70 FDIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)cc1 ZINC000161010100 525015673 /nfs/dbraw/zinc/01/56/73/525015673.db2.gz IJYCIIDUXJZKTI-AWEZNQCLSA-N 1 0 366.425 1.638 20 70 FDIDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000161063278 525027485 /nfs/dbraw/zinc/02/74/85/525027485.db2.gz PQZXWSCTDIGJDQ-UHFFFAOYSA-N 1 0 360.458 1.101 20 70 FDIDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000161251656 525064575 /nfs/dbraw/zinc/06/45/75/525064575.db2.gz QQJNVBOEZAFKPC-IRXDYDNUSA-N 1 0 351.516 1.866 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000161255974 525067305 /nfs/dbraw/zinc/06/73/05/525067305.db2.gz AJRSHDIUOBOOPK-DOTOQJQBSA-N 1 0 369.469 1.626 20 70 FDIDRO COc1ccc([C@@H](NC(=O)[C@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000161268677 525069273 /nfs/dbraw/zinc/06/92/73/525069273.db2.gz SRZDYZASEUHDHH-YVEFUNNKSA-N 1 0 362.451 1.652 20 70 FDIDRO COc1ccccc1[C@@H](CNC(=O)C1(NC(N)=O)CC1)[NH+]1CCCCC1 ZINC000161287992 525072639 /nfs/dbraw/zinc/07/26/39/525072639.db2.gz BSUCFTJGBQFUGZ-OAHLLOKOSA-N 1 0 360.458 1.539 20 70 FDIDRO Cc1cc(C)c(C)c(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)c1C ZINC000161306840 525078127 /nfs/dbraw/zinc/07/81/27/525078127.db2.gz LUJVHLLWIFWOPJ-UHFFFAOYSA-N 1 0 372.531 1.481 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000161307567 525079420 /nfs/dbraw/zinc/07/94/20/525079420.db2.gz OKBSZXMDOSVKNW-FUHWJXTLSA-N 1 0 361.461 1.817 20 70 FDIDRO CCS(=O)(=O)NCc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000161336910 525085258 /nfs/dbraw/zinc/08/52/58/525085258.db2.gz IZMHOBJZCTXBHL-OAHLLOKOSA-N 1 0 365.499 1.340 20 70 FDIDRO Cn1cnc(-c2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cc2)n1 ZINC000161346530 525087623 /nfs/dbraw/zinc/08/76/23/525087623.db2.gz PLPFRYHBHCNUQX-QGZVFWFLSA-N 1 0 372.473 1.841 20 70 FDIDRO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)C1 ZINC000161388323 525096988 /nfs/dbraw/zinc/09/69/88/525096988.db2.gz GWSBLRHMMOQXHJ-AAEUAGOBSA-N 1 0 358.426 1.293 20 70 FDIDRO Cc1cnc2c(cccc2S(=O)(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000161415641 525105233 /nfs/dbraw/zinc/10/52/33/525105233.db2.gz LUNYZOSGMPFVGP-UHFFFAOYSA-N 1 0 363.483 1.526 20 70 FDIDRO CCC(=O)N1CC[C@@H](C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000161435397 525108893 /nfs/dbraw/zinc/10/88/93/525108893.db2.gz FXDJJWZMBNAESS-SOLBZPMBSA-N 1 0 365.518 1.593 20 70 FDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000161458415 525111883 /nfs/dbraw/zinc/11/18/83/525111883.db2.gz WOBIELBDDLWPLW-LBPRGKRZSA-N 1 0 358.357 1.435 20 70 FDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000161452597 525112012 /nfs/dbraw/zinc/11/20/12/525112012.db2.gz AGAYNJRZEADCHP-OAHLLOKOSA-N 1 0 361.552 1.520 20 70 FDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000161460638 525114124 /nfs/dbraw/zinc/11/41/24/525114124.db2.gz LSXVUPIVZDTUPE-OWCLPIDISA-N 1 0 361.552 1.234 20 70 FDIDRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCO[C@@H](c3cccs3)C2)CC1=O ZINC000161495982 525118137 /nfs/dbraw/zinc/11/81/37/525118137.db2.gz KJZMIUJQASCQSN-UONOGXRCSA-N 1 0 351.472 1.058 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000161507967 525121114 /nfs/dbraw/zinc/12/11/14/525121114.db2.gz GIDOVBMKCHFHAZ-CYBMUJFWSA-N 1 0 355.287 1.725 20 70 FDIDRO COc1ccc(S(=O)(=O)N[C@H]2CCN(c3ccccn3)C2)cc1OC ZINC000218104085 537458720 /nfs/dbraw/zinc/45/87/20/537458720.db2.gz OVRVDAPWNVJFLH-ZDUSSCGKSA-N 1 0 363.439 1.656 20 70 FDIDRO CCNS(=O)(=O)c1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159829975 173689002 /nfs/dbraw/zinc/68/90/02/173689002.db2.gz YIWBNGDOINLHEM-UHFFFAOYSA-N 1 0 365.499 1.589 20 70 FDIDRO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159910774 173691967 /nfs/dbraw/zinc/69/19/67/173691967.db2.gz LMLKBKFWSMINSK-LLVKDONJSA-N 1 0 363.277 1.816 20 70 FDIDRO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159910632 173692530 /nfs/dbraw/zinc/69/25/30/173692530.db2.gz LMLKBKFWSMINSK-NSHDSACASA-N 1 0 363.277 1.816 20 70 FDIDRO CC(C)NC(=O)CCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000160150990 173700929 /nfs/dbraw/zinc/70/09/29/173700929.db2.gz IYSBSPKOIOPWLM-UHFFFAOYSA-N 1 0 361.490 1.854 20 70 FDIDRO CN(CC(=O)Nc1cccc(I)c1)[C@@H](C[NH3+])C1CC1 ZINC000160153931 173700931 /nfs/dbraw/zinc/70/09/31/173700931.db2.gz BAMKEBQPKRPGIG-ZDUSSCGKSA-N 1 0 373.238 1.899 20 70 FDIDRO NC(=O)Nc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160184916 173701277 /nfs/dbraw/zinc/70/12/77/173701277.db2.gz DIOARAUZXTXYIB-IAGOWNOFSA-N 1 0 360.458 1.675 20 70 FDIDRO CN(C)C(=O)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160357770 173708250 /nfs/dbraw/zinc/70/82/50/173708250.db2.gz VKUATYJXOSLHOM-OALUTQOASA-N 1 0 373.497 1.886 20 70 FDIDRO O=C(Cn1ncc2ccccc21)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160362488 173708318 /nfs/dbraw/zinc/70/83/18/173708318.db2.gz WBUZZWJRYIHKOY-RTBURBONSA-N 1 0 356.470 1.920 20 70 FDIDRO O=C(NCc1ccc(O)c(F)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000160384567 173709651 /nfs/dbraw/zinc/70/96/51/173709651.db2.gz NEZZBXLZKROQAF-CQSZACIVSA-N 1 0 351.422 1.831 20 70 FDIDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000216970616 258395324 /nfs/dbraw/zinc/39/53/24/258395324.db2.gz RFPRMMZLZXKHKU-HXUWFJFHSA-N 1 0 367.497 1.653 20 70 FDIDRO CC(=O)N(C)c1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000159363706 524652302 /nfs/dbraw/zinc/65/23/02/524652302.db2.gz NDRIITUMEXISCX-MRXNPFEDSA-N 1 0 374.485 1.702 20 70 FDIDRO CCOc1ccc(OCCN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000159369429 524653460 /nfs/dbraw/zinc/65/34/60/524653460.db2.gz QSWFUMGPWOCXGI-IBGZPJMESA-N 1 0 361.486 1.878 20 70 FDIDRO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000159367436 524654636 /nfs/dbraw/zinc/65/46/36/524654636.db2.gz XCQYXWIOIODSNW-OAHLLOKOSA-N 1 0 360.458 1.678 20 70 FDIDRO O=C(CCC(=O)N1CC[NH2+]CC1)c1ccc(I)cc1 ZINC000159380877 524655889 /nfs/dbraw/zinc/65/58/89/524655889.db2.gz FIBZMNJYRYJXRI-UHFFFAOYSA-N 1 0 372.206 1.686 20 70 FDIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN([C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000159373014 524656840 /nfs/dbraw/zinc/65/68/40/524656840.db2.gz GBWMPSLCJACUCW-QZTJIDSGSA-N 1 0 374.460 1.345 20 70 FDIDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1nc(C)c(C)[nH]c1=O ZINC000159386539 524657535 /nfs/dbraw/zinc/65/75/35/524657535.db2.gz AZUNYAOCMKNFBA-UHFFFAOYSA-N 1 0 355.442 1.699 20 70 FDIDRO C[C@H](C(=O)N1CCC(C)CC1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159383362 524657926 /nfs/dbraw/zinc/65/79/26/524657926.db2.gz NVJJAXDHIGCSEI-NVXWUHKLSA-N 1 0 350.507 1.048 20 70 FDIDRO CCN(C(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000159405510 524661835 /nfs/dbraw/zinc/66/18/35/524661835.db2.gz WRNTVVXNPQNDJY-GOSISDBHSA-N 1 0 358.486 1.454 20 70 FDIDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000159405954 524662043 /nfs/dbraw/zinc/66/20/43/524662043.db2.gz VQJBGCDGMHNESQ-KRWDZBQOSA-N 1 0 366.531 1.976 20 70 FDIDRO COCCOc1ccc(CNC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159451046 524672538 /nfs/dbraw/zinc/67/25/38/524672538.db2.gz VBQMQQFWEAGYPK-AEFFLSMTSA-N 1 0 350.459 1.421 20 70 FDIDRO CC[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000159489014 524683991 /nfs/dbraw/zinc/68/39/91/524683991.db2.gz HIRQAQNDAUPTNF-UHFFFAOYSA-N 1 0 363.842 1.341 20 70 FDIDRO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000159502125 524685245 /nfs/dbraw/zinc/68/52/45/524685245.db2.gz RJWWZTWTEZCLGH-CABCVRRESA-N 1 0 361.877 1.969 20 70 FDIDRO O=C1[C@H](N2CC[C@H](C[NH+]3CCOCC3)C2)CCCN1c1ccccc1F ZINC000159588197 524704456 /nfs/dbraw/zinc/70/44/56/524704456.db2.gz MRXNRMCZVOSLAM-VQIMIIECSA-N 1 0 361.461 1.975 20 70 FDIDRO COc1ccc(CCNC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1OC ZINC000159781415 524737419 /nfs/dbraw/zinc/73/74/19/524737419.db2.gz ZZRVLKJYPYSOKS-CVEARBPZSA-N 1 0 350.459 1.455 20 70 FDIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 ZINC000159814267 524743737 /nfs/dbraw/zinc/74/37/37/524743737.db2.gz OCBBGKMXVUTARH-KYJSFNMBSA-N 1 0 361.486 1.807 20 70 FDIDRO C[N@@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)C[C@@H]1CCC[C@@H]1O ZINC000159820132 524745742 /nfs/dbraw/zinc/74/57/42/524745742.db2.gz AQUAODPJHIXYEO-HKUYNNGSSA-N 1 0 373.497 1.500 20 70 FDIDRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[NH2+]CC2)c(Br)c1 ZINC000159879732 524760218 /nfs/dbraw/zinc/76/02/18/524760218.db2.gz MZZNLYCYZIJDGB-UHFFFAOYSA-N 1 0 354.248 1.826 20 70 FDIDRO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159908268 524766783 /nfs/dbraw/zinc/76/67/83/524766783.db2.gz KRJIEOKSDSYLAU-KSSFIOAISA-N 1 0 365.441 1.847 20 70 FDIDRO CC(C)NC(=O)Nc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000159946124 524773132 /nfs/dbraw/zinc/77/31/32/524773132.db2.gz QFKGPUPRWOXPEX-KRWDZBQOSA-N 1 0 362.474 1.793 20 70 FDIDRO O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159969750 524776909 /nfs/dbraw/zinc/77/69/09/524776909.db2.gz GMBGYQSBOKODMM-CQSZACIVSA-N 1 0 368.861 1.617 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000159975593 524779374 /nfs/dbraw/zinc/77/93/74/524779374.db2.gz BVXBFRJHWLXBOV-GFCCVEGCSA-N 1 0 350.444 1.965 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000160030295 524792857 /nfs/dbraw/zinc/79/28/57/524792857.db2.gz BZENQPUIWVQKCE-VXGBXAGGSA-N 1 0 366.462 1.488 20 70 FDIDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)Nc1ccc(F)nc1 ZINC000160045841 524796423 /nfs/dbraw/zinc/79/64/23/524796423.db2.gz LAFBTNDEDOIXPS-MRXNPFEDSA-N 1 0 356.401 1.940 20 70 FDIDRO CC(C)OC(=O)CCCNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000160055118 524799362 /nfs/dbraw/zinc/79/93/62/524799362.db2.gz OLVSECHEIDTYHE-QGZVFWFLSA-N 1 0 368.522 1.530 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000160087135 524805479 /nfs/dbraw/zinc/80/54/79/524805479.db2.gz BAUFRLSZBDXZFE-OALUTQOASA-N 1 0 363.477 1.753 20 70 FDIDRO CCn1nccc1C[NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000160093502 524807692 /nfs/dbraw/zinc/80/76/92/524807692.db2.gz DYWUROKQJNUJRP-UHFFFAOYSA-N 1 0 359.449 1.871 20 70 FDIDRO Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000160109680 524810262 /nfs/dbraw/zinc/81/02/62/524810262.db2.gz HHDJTEBETFNUMF-CYBMUJFWSA-N 1 0 359.474 1.975 20 70 FDIDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000160137275 524815660 /nfs/dbraw/zinc/81/56/60/524815660.db2.gz ZVTLGZQIXFKXJJ-DOTOQJQBSA-N 1 0 350.507 1.807 20 70 FDIDRO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH3+])cc2)cc1 ZINC000160136368 524815807 /nfs/dbraw/zinc/81/58/07/524815807.db2.gz PWQBAVWGGSSTOH-UHFFFAOYSA-N 1 0 361.467 1.899 20 70 FDIDRO Cc1cc(S(N)(=O)=O)cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000160140757 524819175 /nfs/dbraw/zinc/81/91/75/524819175.db2.gz FUOACZODVXDHPQ-CYBMUJFWSA-N 1 0 351.472 1.165 20 70 FDIDRO Cc1[nH]c(=O)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1-c1ccccc1 ZINC000160182641 524824686 /nfs/dbraw/zinc/82/46/86/524824686.db2.gz KJVYPABVRMAJDZ-QGZVFWFLSA-N 1 0 369.465 1.927 20 70 FDIDRO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)NC[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000160189568 524826323 /nfs/dbraw/zinc/82/63/23/524826323.db2.gz OKUUMBVQDOKCIG-HYVNUMGLSA-N 1 0 357.458 1.068 20 70 FDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000160215793 524833674 /nfs/dbraw/zinc/83/36/74/524833674.db2.gz REFSEJRFXSRONO-VIFPVBQESA-N 1 0 370.194 1.731 20 70 FDIDRO C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1=O ZINC000160230290 524836994 /nfs/dbraw/zinc/83/69/94/524836994.db2.gz JEZPQYNDHNUMFL-WDSOQIARSA-N 1 0 373.497 1.559 20 70 FDIDRO NC(=O)NCc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160233821 524837166 /nfs/dbraw/zinc/83/71/66/524837166.db2.gz WBJGPIJZIUOTEE-ROUUACIJSA-N 1 0 374.485 1.353 20 70 FDIDRO CC(=O)NCc1ccc(C(=O)N(C)CC(C)(C)CN2CCOCC2)s1 ZINC000160243843 524839448 /nfs/dbraw/zinc/83/94/48/524839448.db2.gz ZCFRRVBYKUWIFR-UHFFFAOYSA-N 1 0 367.515 1.815 20 70 FDIDRO CC(C)CCn1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)nn1 ZINC000160258171 524843907 /nfs/dbraw/zinc/84/39/07/524843907.db2.gz UYJFJANCONDVPU-ZWKOTPCHSA-N 1 0 363.506 1.822 20 70 FDIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000160270986 524845747 /nfs/dbraw/zinc/84/57/47/524845747.db2.gz XQSIRUJNPSOTGZ-LSDHHAIUSA-N 1 0 351.472 1.037 20 70 FDIDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC[C@](C)(O)C3)cc2)CC1 ZINC000160266164 524846522 /nfs/dbraw/zinc/84/65/22/524846522.db2.gz ZTZHMRAFDHIXSX-NRFANRHFSA-N 1 0 374.529 1.881 20 70 FDIDRO [NH3+]C[C@@H]1CCCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000160307564 524853441 /nfs/dbraw/zinc/85/34/41/524853441.db2.gz ZTOSAABATSIXBB-ZDUSSCGKSA-N 1 0 371.528 1.415 20 70 FDIDRO O=C(Cc1cn2ccsc2n1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160306266 524854434 /nfs/dbraw/zinc/85/44/34/524854434.db2.gz DWQAFMPTKRARQD-HOTGVXAUSA-N 1 0 362.499 1.822 20 70 FDIDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c(OC)c1 ZINC000160330676 524860337 /nfs/dbraw/zinc/86/03/37/524860337.db2.gz AGFUKEYEAOYCPU-TZMCWYRMSA-N 1 0 373.457 1.925 20 70 FDIDRO NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)O1 ZINC000160342865 524862802 /nfs/dbraw/zinc/86/28/02/524862802.db2.gz FRJHEUNARSNNGZ-IRXDYDNUSA-N 1 0 366.506 1.317 20 70 FDIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000160384448 524874500 /nfs/dbraw/zinc/87/45/00/524874500.db2.gz IOJWGURIRXJXKI-ZDUSSCGKSA-N 1 0 359.430 1.433 20 70 FDIDRO CCC[N@@H+]1CCCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000160391763 524875664 /nfs/dbraw/zinc/87/56/64/524875664.db2.gz INGVOHLXYSKNEW-UHFFFAOYSA-N 1 0 350.463 1.185 20 70 FDIDRO Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160441559 524889251 /nfs/dbraw/zinc/88/92/51/524889251.db2.gz NZDAQLUFLLYMQC-AWEZNQCLSA-N 1 0 363.487 1.429 20 70 FDIDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000160495855 524902105 /nfs/dbraw/zinc/90/21/05/524902105.db2.gz QCJZBDSTHKFGLK-LJQANCHMSA-N 1 0 365.518 1.783 20 70 FDIDRO CCN(CC)C(=O)CCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160503782 524904639 /nfs/dbraw/zinc/90/46/39/524904639.db2.gz XAMYNTMXCYZYDH-DLBZAZTESA-N 1 0 353.507 1.519 20 70 FDIDRO C[C@@H](NC(=O)c1ccoc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160512586 524905509 /nfs/dbraw/zinc/90/55/09/524905509.db2.gz VBDIBNFRSFMRRX-XYPHTWIQSA-N 1 0 363.458 1.282 20 70 FDIDRO CC(C)n1nc(C(=O)NCC2CC[NH+](CCO)CC2)c2ccccc2c1=O ZINC000160583594 524922288 /nfs/dbraw/zinc/92/22/88/524922288.db2.gz PGAHEINJLFAWDS-UHFFFAOYSA-N 1 0 372.469 1.412 20 70 FDIDRO C[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C(=O)c1cccc(F)c1 ZINC000160587943 524923839 /nfs/dbraw/zinc/92/38/39/524923839.db2.gz DDJKBZKEUILFMC-RHSMWYFYSA-N 1 0 350.434 1.998 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCc2nnc3n2CCCC3)CC[N@@H+]1CCOC ZINC000160597469 524925925 /nfs/dbraw/zinc/92/59/25/524925925.db2.gz APZQCOFKOANSDX-OAHLLOKOSA-N 1 0 364.494 1.257 20 70 FDIDRO C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000160625513 524931118 /nfs/dbraw/zinc/93/11/18/524931118.db2.gz QTILXYQPZHDMHJ-QGZVFWFLSA-N 1 0 367.515 1.682 20 70 FDIDRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160632033 524932643 /nfs/dbraw/zinc/93/26/43/524932643.db2.gz RBIDZOZPESBNNE-LBPRGKRZSA-N 1 0 363.384 1.660 20 70 FDIDRO O=C(Cc1ccc2c(c1)OCCO2)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160666541 524943416 /nfs/dbraw/zinc/94/34/16/524943416.db2.gz WUXCKQFAGDTYSI-QZTJIDSGSA-N 1 0 374.481 1.884 20 70 FDIDRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc2nccnc2c1 ZINC000160673027 524944379 /nfs/dbraw/zinc/94/43/79/524944379.db2.gz OIIGHECMJJJLPD-QZTJIDSGSA-N 1 0 362.433 1.995 20 70 FDIDRO COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H]([NH+]3CCCC3)C1)CC2 ZINC000160674858 524945713 /nfs/dbraw/zinc/94/57/13/524945713.db2.gz XIBGWXYLEJYADY-CABCVRRESA-N 1 0 362.478 1.009 20 70 FDIDRO NC(=O)Nc1cccc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000160714552 524955490 /nfs/dbraw/zinc/95/54/90/524955490.db2.gz CIEQQCSQKPQIPW-MSOLQXFVSA-N 1 0 368.437 1.542 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(-n2cccn2)n1 ZINC000160763682 524966619 /nfs/dbraw/zinc/96/66/19/524966619.db2.gz BNMREUDTWASMOW-ROUUACIJSA-N 1 0 369.469 1.765 20 70 FDIDRO C[C@H](CC(=O)c1cccs1)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000160811951 524975338 /nfs/dbraw/zinc/97/53/38/524975338.db2.gz LIYXHPUQSFUWGD-CHWSQXEVSA-N 1 0 351.472 1.236 20 70 FDIDRO Cc1cc(Cl)ncc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000160993724 525013022 /nfs/dbraw/zinc/01/30/22/525013022.db2.gz YXNDHWNSZBYJFY-CYBMUJFWSA-N 1 0 368.865 1.335 20 70 FDIDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161009224 525014190 /nfs/dbraw/zinc/01/41/90/525014190.db2.gz KKVJUPARIUUSMD-NXOAAHMSSA-N 1 0 351.491 1.696 20 70 FDIDRO COC(=O)c1csc(NC(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000161009156 525015160 /nfs/dbraw/zinc/01/51/60/525015160.db2.gz TUZIWOYKBWNPII-UHFFFAOYSA-N 1 0 354.476 1.684 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cnn1-c1ccccc1 ZINC000161265311 525068847 /nfs/dbraw/zinc/06/88/47/525068847.db2.gz FGECEBYBEYSGMO-ZDUSSCGKSA-N 1 0 355.442 1.718 20 70 FDIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C2CCOCC2)c1C ZINC000161304081 525075514 /nfs/dbraw/zinc/07/55/14/525075514.db2.gz CIIIIMCMCYXSJI-MRXNPFEDSA-N 1 0 350.463 1.384 20 70 FDIDRO CC(C)c1ncc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)s1 ZINC000161386856 525097725 /nfs/dbraw/zinc/09/77/25/525097725.db2.gz OLHJKFQFHCWCOZ-ZDUSSCGKSA-N 1 0 352.504 1.939 20 70 FDIDRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000161396589 525098707 /nfs/dbraw/zinc/09/87/07/525098707.db2.gz CDPZPZVRQOHDGX-UHFFFAOYSA-N 1 0 373.457 1.204 20 70 FDIDRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161404730 525101315 /nfs/dbraw/zinc/10/13/15/525101315.db2.gz SDRQHUVMJPOVDB-GJZGRUSLSA-N 1 0 353.488 1.249 20 70 FDIDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cn1c(C)cc(O)cc1=O ZINC000161411669 525102639 /nfs/dbraw/zinc/10/26/39/525102639.db2.gz MWKJDHZCWADOEH-UHFFFAOYSA-N 1 0 370.453 1.561 20 70 FDIDRO C[C@@H]1Cc2cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc(Cl)c2O1 ZINC000161416417 525105457 /nfs/dbraw/zinc/10/54/57/525105457.db2.gz HSMZFIRHTNIXEF-BMIGLBTASA-N 1 0 362.879 1.254 20 70 FDIDRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CCn2ccnc2C1 ZINC000161433856 525108158 /nfs/dbraw/zinc/10/81/58/525108158.db2.gz WRQKZKVUWHQWHN-GOSISDBHSA-N 1 0 368.481 1.719 20 70 FDIDRO O=C(N1CCNC(=O)CC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000161453519 525112740 /nfs/dbraw/zinc/11/27/40/525112740.db2.gz IYRYNUMTNNOFGX-KRWDZBQOSA-N 1 0 369.387 1.790 20 70 FDIDRO CC(C)([NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000160042667 173696597 /nfs/dbraw/zinc/69/65/97/173696597.db2.gz MKXSSVZIRNIVIK-LBPRGKRZSA-N 1 0 355.385 1.746 20 70 FDIDRO CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H]([NH+]3CCCC3)CC1)CC2 ZINC000160060366 173697451 /nfs/dbraw/zinc/69/74/51/173697451.db2.gz PVZZFHJBURXUPT-HOTGVXAUSA-N 1 0 360.506 1.815 20 70 FDIDRO Cc1cc(C)n2nc(C(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)nc2n1 ZINC000160505877 173713995 /nfs/dbraw/zinc/71/39/95/173713995.db2.gz QKGASRMUBPLMDG-JKSUJKDBSA-N 1 0 372.473 1.239 20 70 FDIDRO O=C(Cc1ccc2c(c1)OCO2)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160752756 173720916 /nfs/dbraw/zinc/72/09/16/173720916.db2.gz YUZJXTXGMGBFHN-DLBZAZTESA-N 1 0 360.454 1.842 20 70 FDIDRO COc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000161474478 173743063 /nfs/dbraw/zinc/74/30/63/173743063.db2.gz UKFSPHVHPWTBOO-HNNXBMFYSA-N 1 0 370.515 1.717 20 70 FDIDRO Cc1ccccc1CCNC(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159386960 524657770 /nfs/dbraw/zinc/65/77/70/524657770.db2.gz OTMWGRLLPPVGPJ-LJQANCHMSA-N 1 0 372.513 1.068 20 70 FDIDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159439621 524669446 /nfs/dbraw/zinc/66/94/46/524669446.db2.gz NTJHRQRSALOFAC-VXGBXAGGSA-N 1 0 373.423 1.286 20 70 FDIDRO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000159445996 524672033 /nfs/dbraw/zinc/67/20/33/524672033.db2.gz CXTLEYSLTVERCR-OAHLLOKOSA-N 1 0 360.458 1.678 20 70 FDIDRO C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000159564638 524697382 /nfs/dbraw/zinc/69/73/82/524697382.db2.gz IEMLXJGOCRZFEN-JKSUJKDBSA-N 1 0 363.458 1.501 20 70 FDIDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCc2cscn2)CC1 ZINC000159562552 524698055 /nfs/dbraw/zinc/69/80/55/524698055.db2.gz BVQDFPGVZLFLKN-IYBDPMFKSA-N 1 0 365.547 1.886 20 70 FDIDRO COc1ccc(CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1OC ZINC000159560771 524698429 /nfs/dbraw/zinc/69/84/29/524698429.db2.gz GKGUOJKUAVUJRE-XIRDDKMYSA-N 1 0 364.486 1.844 20 70 FDIDRO C[C@H](Oc1cccc(CO)c1)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000159642689 524713476 /nfs/dbraw/zinc/71/34/76/524713476.db2.gz MMBBUGJXMKMMLP-INIZCTEOSA-N 1 0 357.454 1.932 20 70 FDIDRO CC1CC[NH+](CCCNC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000159716627 524724939 /nfs/dbraw/zinc/72/49/39/524724939.db2.gz XFUSPWOEBRBLEI-HXUWFJFHSA-N 1 0 372.469 1.593 20 70 FDIDRO CC(=O)N1CC[C@@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000159737379 524729489 /nfs/dbraw/zinc/72/94/89/524729489.db2.gz LDVNWTVDXSTWPU-GOSISDBHSA-N 1 0 358.486 1.326 20 70 FDIDRO CN(C(=O)CCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000159905467 524763457 /nfs/dbraw/zinc/76/34/57/524763457.db2.gz YBLVERCCNIYLJW-KRWDZBQOSA-N 1 0 373.501 1.063 20 70 FDIDRO O=C(c1cc2c([nH]c1=O)CCCCC2)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000159908624 524766547 /nfs/dbraw/zinc/76/65/47/524766547.db2.gz JNWVBQZVSUDANG-INIZCTEOSA-N 1 0 373.497 1.828 20 70 FDIDRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)CC1 ZINC000159954560 524775633 /nfs/dbraw/zinc/77/56/33/524775633.db2.gz KHEMKIPWOGLFGU-UHFFFAOYSA-N 1 0 362.474 1.370 20 70 FDIDRO O=C(c1ncn(-c2ccccc2)n1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000159966872 524777822 /nfs/dbraw/zinc/77/78/22/524777822.db2.gz GYNSHRQWRFERJQ-SFHVURJKSA-N 1 0 369.469 1.984 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccnc1OCC(F)(F)F ZINC000159974258 524779038 /nfs/dbraw/zinc/77/90/38/524779038.db2.gz NFULLOBSMBAVJD-GFCCVEGCSA-N 1 0 361.364 1.599 20 70 FDIDRO Cc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cccc1S(N)(=O)=O ZINC000160087667 524805908 /nfs/dbraw/zinc/80/59/08/524805908.db2.gz XYIOMQBOQKFETI-DZGCQCFKSA-N 1 0 351.472 1.199 20 70 FDIDRO C[C@@H](CNC(=O)Cc1csc(-c2ccoc2)n1)C[NH+]1CCN(C)CC1 ZINC000160107490 524809766 /nfs/dbraw/zinc/80/97/66/524809766.db2.gz BCALDBZNMWBVRX-AWEZNQCLSA-N 1 0 362.499 1.945 20 70 FDIDRO CSc1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1F ZINC000160116073 524812460 /nfs/dbraw/zinc/81/24/60/524812460.db2.gz IQZWGDMNHJGTMC-ZDUSSCGKSA-N 1 0 353.463 1.865 20 70 FDIDRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3C[NH3+])s2)CC1 ZINC000160146781 524819433 /nfs/dbraw/zinc/81/94/33/524819433.db2.gz BGDMMZZSZIBRHB-ZDUSSCGKSA-N 1 0 371.528 1.732 20 70 FDIDRO CC1(C)Cc2cccc(OCC(=O)NC[C@H](O)C[NH+]3CCCCC3)c2O1 ZINC000160152869 524820731 /nfs/dbraw/zinc/82/07/31/524820731.db2.gz MTQAEOSITWVYRB-INIZCTEOSA-N 1 0 362.470 1.742 20 70 FDIDRO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160191198 524826839 /nfs/dbraw/zinc/82/68/39/524826839.db2.gz OEPAUPISMXMQQQ-MRXNPFEDSA-N 1 0 367.515 1.599 20 70 FDIDRO Cc1nn(C)c(C)c1CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160211543 524830315 /nfs/dbraw/zinc/83/03/15/524830315.db2.gz GMVBTFOKRRAPPA-RTBURBONSA-N 1 0 362.518 1.854 20 70 FDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000160272423 524846487 /nfs/dbraw/zinc/84/64/87/524846487.db2.gz XLAFYOCEYUGIJE-CQSZACIVSA-N 1 0 354.472 1.857 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000160330340 524857964 /nfs/dbraw/zinc/85/79/64/524857964.db2.gz DOEAOQJIMMDNTJ-ZBFHGGJFSA-N 1 0 352.862 1.854 20 70 FDIDRO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000160352090 524865426 /nfs/dbraw/zinc/86/54/26/524865426.db2.gz VJABVZDHDMJYBN-AWEZNQCLSA-N 1 0 373.544 1.701 20 70 FDIDRO O=C(CCc1nc(-c2ccsc2)no1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160357424 524866071 /nfs/dbraw/zinc/86/60/71/524866071.db2.gz HBKSIFGUFOWXSQ-AWEZNQCLSA-N 1 0 364.471 1.694 20 70 FDIDRO Cc1cccc2c(=O)n(CCC(=O)NC[C@H](O)C[NH+]3CCCCC3)cnc12 ZINC000160359277 524866832 /nfs/dbraw/zinc/86/68/32/524866832.db2.gz LORARJDPSMBOGQ-INIZCTEOSA-N 1 0 372.469 1.058 20 70 FDIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000160384587 524874076 /nfs/dbraw/zinc/87/40/76/524874076.db2.gz OZPDIXBCRXOBAI-LLVKDONJSA-N 1 0 355.236 1.383 20 70 FDIDRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160404915 524881231 /nfs/dbraw/zinc/88/12/31/524881231.db2.gz PQWKYTDZPHJWPO-LZWOXQAQSA-N 1 0 355.446 1.206 20 70 FDIDRO CCc1[nH]c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)c1C(=O)OC ZINC000160494483 524903038 /nfs/dbraw/zinc/90/30/38/524903038.db2.gz PYFKEJXORHIFGZ-CYBMUJFWSA-N 1 0 351.447 1.249 20 70 FDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2nccs2)C1 ZINC000160543531 524911640 /nfs/dbraw/zinc/91/16/40/524911640.db2.gz IILLKYSLXYHZKO-ZIAGYGMSSA-N 1 0 350.488 1.733 20 70 FDIDRO CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000160554949 524914274 /nfs/dbraw/zinc/91/42/74/524914274.db2.gz ASHFNBOYXVFHFY-UHFFFAOYSA-N 1 0 373.383 1.861 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)C1 ZINC000160564070 524915875 /nfs/dbraw/zinc/91/58/75/524915875.db2.gz HPJJNDLDTUCDQI-DZGCQCFKSA-N 1 0 365.861 1.774 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)C1 ZINC000160604614 524927009 /nfs/dbraw/zinc/92/70/09/524927009.db2.gz LZEKROUJNIPRAM-ZBFHGGJFSA-N 1 0 353.488 1.118 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000160609564 524928730 /nfs/dbraw/zinc/92/87/30/524928730.db2.gz JIMVTQSCGPWVPY-SFHVURJKSA-N 1 0 355.438 1.822 20 70 FDIDRO O=C(CCCc1nnc(-c2ccccc2)o1)NCC1CC[NH+](CCO)CC1 ZINC000160622731 524930820 /nfs/dbraw/zinc/93/08/20/524930820.db2.gz RPKARAYEJGZHRQ-UHFFFAOYSA-N 1 0 372.469 1.880 20 70 FDIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000160694781 524950386 /nfs/dbraw/zinc/95/03/86/524950386.db2.gz LUNWQHUQAFFZLM-SFHVURJKSA-N 1 0 374.460 1.777 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)C1 ZINC000160719688 524956147 /nfs/dbraw/zinc/95/61/47/524956147.db2.gz CKSONMJORBJUGZ-LLVKDONJSA-N 1 0 351.357 1.611 20 70 FDIDRO O=C(c1cccn2c(I)cnc12)N1CCC[NH2+]CC1 ZINC000160824492 524976221 /nfs/dbraw/zinc/97/62/21/524976221.db2.gz ADZLXTLPCTZSBZ-UHFFFAOYSA-N 1 0 370.194 1.374 20 70 FDIDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cnn1-c1ccccc1 ZINC000160981284 525008432 /nfs/dbraw/zinc/00/84/32/525008432.db2.gz CFBZGCOEHHKZCM-QGZVFWFLSA-N 1 0 367.453 1.816 20 70 FDIDRO CC(C)[NH+](CCSCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C(C)C ZINC000160994141 525012281 /nfs/dbraw/zinc/01/22/81/525012281.db2.gz QDFGNYRYYDTCID-UHFFFAOYSA-N 1 0 368.503 1.488 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)Cc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000161049763 525022110 /nfs/dbraw/zinc/02/21/10/525022110.db2.gz XBVXDJYOSROOFM-UHFFFAOYSA-N 1 0 352.500 1.871 20 70 FDIDRO CCS(=O)(=O)CCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000161072838 525027231 /nfs/dbraw/zinc/02/72/31/525027231.db2.gz GAHNTWDGHZLSKT-UHFFFAOYSA-N 1 0 368.503 1.374 20 70 FDIDRO CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C[NH2+]CC)CC2)cc1 ZINC000161098247 525032165 /nfs/dbraw/zinc/03/21/65/525032165.db2.gz UWDIAUSQYRJIGP-UHFFFAOYSA-N 1 0 353.488 1.447 20 70 FDIDRO CC(C)[C@H]1C(=O)NCCN1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161201156 525053411 /nfs/dbraw/zinc/05/34/11/525053411.db2.gz UVJMRUBTALJAAM-QAPCUYQASA-N 1 0 373.501 1.773 20 70 FDIDRO COc1ccc(CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C2CC2)cc1 ZINC000161311909 525078261 /nfs/dbraw/zinc/07/82/61/525078261.db2.gz PFZPLJJFYUBRBM-UHFFFAOYSA-N 1 0 369.425 1.134 20 70 FDIDRO COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000161307154 525078334 /nfs/dbraw/zinc/07/83/34/525078334.db2.gz FVDAKMXFHOICLM-CZUORRHYSA-N 1 0 366.483 1.655 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000161336126 525084759 /nfs/dbraw/zinc/08/47/59/525084759.db2.gz UEGBZFPVQCIDMM-HNNXBMFYSA-N 1 0 351.472 1.199 20 70 FDIDRO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161350626 525086141 /nfs/dbraw/zinc/08/61/41/525086141.db2.gz DHPHKSUDYJNELU-NVXWUHKLSA-N 1 0 359.474 1.608 20 70 FDIDRO Cc1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)ccc1Br ZINC000161432488 525106441 /nfs/dbraw/zinc/10/64/41/525106441.db2.gz KIMPDYGBKBZCBQ-ZDUSSCGKSA-N 1 0 365.293 1.348 20 70 FDIDRO COc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1F ZINC000161438513 525108116 /nfs/dbraw/zinc/10/81/16/525108116.db2.gz JKYHPEQKEFKCEE-ZDUSSCGKSA-N 1 0 374.478 1.548 20 70 FDIDRO C[C@@H](C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000161470212 525114781 /nfs/dbraw/zinc/11/47/81/525114781.db2.gz FDLXHCFSSBCHKE-KFKAGJAMSA-N 1 0 373.497 1.479 20 70 FDIDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N[C@H]1CCc2n[nH]cc2C1 ZINC000161040516 258263424 /nfs/dbraw/zinc/26/34/24/258263424.db2.gz NJVDWTPALJUECK-INIZCTEOSA-N 1 0 354.458 1.626 20 70 FDIDRO O=C(c1cccc2[nH]c(=O)oc21)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000159569331 173682330 /nfs/dbraw/zinc/68/23/30/173682330.db2.gz AJGLWWWRFRWWQM-UHFFFAOYSA-N 1 0 359.426 1.838 20 70 FDIDRO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCCC[NH3+])cc2)C1 ZINC000160155990 173700692 /nfs/dbraw/zinc/70/06/92/173700692.db2.gz LCGYCIJXUILXLN-KBPBESRZSA-N 1 0 353.488 1.432 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(-n2cccn2)ccn1 ZINC000160171183 173702022 /nfs/dbraw/zinc/70/20/22/173702022.db2.gz BWIIVEGXJWYKFN-OALUTQOASA-N 1 0 369.469 1.765 20 70 FDIDRO CCC[NH+]1CCC(N(C)C(=O)c2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000160444423 173711302 /nfs/dbraw/zinc/71/13/02/173711302.db2.gz OUCQUGUIWWKMMR-UHFFFAOYSA-N 1 0 367.515 1.897 20 70 FDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1CC ZINC000160494081 173714028 /nfs/dbraw/zinc/71/40/28/173714028.db2.gz XPMBJFFSYLENJB-CQSZACIVSA-N 1 0 361.490 1.665 20 70 FDIDRO Cc1ccc(N2CC[C@H](N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)C2=O)cc1 ZINC000159368092 524654777 /nfs/dbraw/zinc/65/47/77/524654777.db2.gz DHOZFVKJYUMZRJ-MOPGFXCFSA-N 1 0 370.497 1.514 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)C1 ZINC000159388405 524658291 /nfs/dbraw/zinc/65/82/91/524658291.db2.gz UNUYHFIQWDGIRV-MRXNPFEDSA-N 1 0 373.501 1.714 20 70 FDIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000159418685 524665467 /nfs/dbraw/zinc/66/54/67/524665467.db2.gz ZXCHCENVODMDEM-IAGOWNOFSA-N 1 0 353.413 1.412 20 70 FDIDRO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CC[NH2+]CC1 ZINC000159419003 524666489 /nfs/dbraw/zinc/66/64/89/524666489.db2.gz GFVQEHOEQZMJNZ-FQEVSTJZSA-N 1 0 353.466 1.955 20 70 FDIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2ccn(-c3ccccc3)n2)CC1 ZINC000159427759 524667456 /nfs/dbraw/zinc/66/74/56/524667456.db2.gz QVJSWHZPSGJNAC-LJQANCHMSA-N 1 0 353.470 1.786 20 70 FDIDRO COCCOc1ccc(CNC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159450880 524672300 /nfs/dbraw/zinc/67/23/00/524672300.db2.gz VBQMQQFWEAGYPK-WMZOPIPTSA-N 1 0 350.459 1.421 20 70 FDIDRO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)Cc2cnc3ccccn23)C1 ZINC000159546732 524692597 /nfs/dbraw/zinc/69/25/97/524692597.db2.gz QGTFHIIGDQBIPN-HNNXBMFYSA-N 1 0 358.442 1.568 20 70 FDIDRO NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159589122 524704135 /nfs/dbraw/zinc/70/41/35/524704135.db2.gz UJQYJQFXAMAXQC-BBRMVZONSA-N 1 0 351.472 1.927 20 70 FDIDRO Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1-n1cnnn1 ZINC000159604081 524706923 /nfs/dbraw/zinc/70/69/23/524706923.db2.gz GISKJJSLEIYRIV-PBHICJAKSA-N 1 0 355.446 1.919 20 70 FDIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000159669338 524715999 /nfs/dbraw/zinc/71/59/99/524715999.db2.gz LCCQPEOLUUGMPH-UONOGXRCSA-N 1 0 351.495 1.578 20 70 FDIDRO [NH3+]C1(CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC000159678736 524718176 /nfs/dbraw/zinc/71/81/76/524718176.db2.gz MJNHMIOYZNMKTF-UHFFFAOYSA-N 1 0 365.908 1.458 20 70 FDIDRO C[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159758865 524732730 /nfs/dbraw/zinc/73/27/30/524732730.db2.gz UVCHUHHEFVJMIC-LPHOPBHVSA-N 1 0 361.486 1.945 20 70 FDIDRO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159781978 524737354 /nfs/dbraw/zinc/73/73/54/524737354.db2.gz JFYSRJYRAVWNNQ-KSZLIROESA-N 1 0 360.454 1.206 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)CC1 ZINC000159898660 524762342 /nfs/dbraw/zinc/76/23/42/524762342.db2.gz KBEDLFDDBNCRLS-IBGZPJMESA-N 1 0 373.545 1.934 20 70 FDIDRO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159908409 524767341 /nfs/dbraw/zinc/76/73/41/524767341.db2.gz KRJIEOKSDSYLAU-KDOFPFPSSA-N 1 0 365.441 1.847 20 70 FDIDRO COCCN1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000159944488 524773366 /nfs/dbraw/zinc/77/33/66/524773366.db2.gz IVTOHNFBPDLYSH-MJGOQNOKSA-N 1 0 360.502 1.481 20 70 FDIDRO CNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000160002718 524788233 /nfs/dbraw/zinc/78/82/33/524788233.db2.gz PXFPFQKPEOEPTE-BPQIPLTHSA-N 1 0 358.486 1.817 20 70 FDIDRO CCC[C@@H]1CN(C(=O)N[C@@H](C)c2nnc3ccccn32)CC[N@@H+]1CCOC ZINC000160026201 524791492 /nfs/dbraw/zinc/79/14/92/524791492.db2.gz MJGOWHVDBXUELF-JKSUJKDBSA-N 1 0 374.489 1.933 20 70 FDIDRO CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cccc(-c3nccn3C)c2)C1 ZINC000160031855 524792353 /nfs/dbraw/zinc/79/23/53/524792353.db2.gz PQTZOJVXZAXHML-AWEZNQCLSA-N 1 0 363.443 1.243 20 70 FDIDRO COCC(=O)N1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160141550 524818580 /nfs/dbraw/zinc/81/85/80/524818580.db2.gz DQJDSKMOMQFBLA-FUHWJXTLSA-N 1 0 374.485 1.150 20 70 FDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cccn2c(I)cnc12 ZINC000160154688 524821210 /nfs/dbraw/zinc/82/12/10/524821210.db2.gz VANSYLUGIDWUOY-VIFPVBQESA-N 1 0 370.194 1.502 20 70 FDIDRO O=C(CCc1nc(C2CCCC2)no1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160199834 524828538 /nfs/dbraw/zinc/82/85/38/524828538.db2.gz MKVFBDFFNLJIAT-HNNXBMFYSA-N 1 0 350.463 1.623 20 70 FDIDRO CCN(C(=O)NCCN1C(=O)CCC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160207712 524832037 /nfs/dbraw/zinc/83/20/37/524832037.db2.gz GPVZLQICVVNAOO-QGZVFWFLSA-N 1 0 372.469 1.441 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1nc(N2CCCC2)ncc1Cl ZINC000160216856 524832522 /nfs/dbraw/zinc/83/25/22/524832522.db2.gz ZYZIUHXUAYJABC-ZDUSSCGKSA-N 1 0 367.881 1.307 20 70 FDIDRO COC(=O)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160237223 524839617 /nfs/dbraw/zinc/83/96/17/524839617.db2.gz OYFXDRONLJISKF-ZWKOTPCHSA-N 1 0 360.454 1.971 20 70 FDIDRO CC(C)CCn1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)nn1 ZINC000160257921 524844007 /nfs/dbraw/zinc/84/40/07/524844007.db2.gz UYJFJANCONDVPU-ROUUACIJSA-N 1 0 363.506 1.822 20 70 FDIDRO CC1(C)CN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC[NH2+]1 ZINC000160348031 524864200 /nfs/dbraw/zinc/86/42/00/524864200.db2.gz HLOALJFVNJNBDH-UHFFFAOYSA-N 1 0 368.235 1.506 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCc2ccc(C(N)=O)cc2)CC[N@@H+]1CCOC ZINC000160410298 524880504 /nfs/dbraw/zinc/88/05/04/524880504.db2.gz JTZQAPVEXGTFCN-KRWDZBQOSA-N 1 0 362.474 1.428 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cn(-c2ccccc2)nn1 ZINC000160435946 524886318 /nfs/dbraw/zinc/88/63/18/524886318.db2.gz RTTAMLTZQKDQSW-RTBURBONSA-N 1 0 369.469 1.765 20 70 FDIDRO C[NH+](C)[C@@H](CNC(=O)c1cncc(I)c1)C1CC1 ZINC000160451624 524892000 /nfs/dbraw/zinc/89/20/00/524892000.db2.gz OJRZMIBZHVIZRR-LBPRGKRZSA-N 1 0 359.211 1.756 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)C1CCN(CC(F)(F)F)CC1 ZINC000160543329 524912833 /nfs/dbraw/zinc/91/28/33/524912833.db2.gz HWOZGEHZZSICFE-UHFFFAOYSA-N 1 0 351.413 1.081 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1n[nH]c(=O)c2ccccc21 ZINC000160553117 524914133 /nfs/dbraw/zinc/91/41/33/524914133.db2.gz XIXLIDVKUJHFNV-SJORKVTESA-N 1 0 370.453 1.421 20 70 FDIDRO Cc1nn(C)c(C)c1OCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160582158 524920938 /nfs/dbraw/zinc/92/09/38/524920938.db2.gz GHMZEIFGXKLMCD-SJORKVTESA-N 1 0 364.490 1.300 20 70 FDIDRO C[C@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)C(=O)c1cccc(F)c1 ZINC000160587711 524922524 /nfs/dbraw/zinc/92/25/24/524922524.db2.gz DDJKBZKEUILFMC-PBHICJAKSA-N 1 0 350.434 1.998 20 70 FDIDRO COc1cccc(CO[C@@H](C)C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160593286 524924785 /nfs/dbraw/zinc/92/47/85/524924785.db2.gz RMUMPKFUOJMSHL-HNNXBMFYSA-N 1 0 350.459 1.421 20 70 FDIDRO O=C(COc1ccc(Br)cc1)NCC1CC[NH+](CCO)CC1 ZINC000160652551 524938690 /nfs/dbraw/zinc/93/86/90/524938690.db2.gz CTKKUIPAMFEYJO-UHFFFAOYSA-N 1 0 371.275 1.648 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000160660815 524939619 /nfs/dbraw/zinc/93/96/19/524939619.db2.gz ACUUHRIQGLGSKC-YESZJQIVSA-N 1 0 360.454 1.524 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[C@@H]1COc2ccccc2O1 ZINC000160686920 524948336 /nfs/dbraw/zinc/94/83/36/524948336.db2.gz SKNCZCYDRSNRRK-BXWFABGCSA-N 1 0 360.454 1.711 20 70 FDIDRO CCCCNC(=O)C1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160687943 524950015 /nfs/dbraw/zinc/95/00/15/524950015.db2.gz ZANPRVBUDPCTOC-QGZVFWFLSA-N 1 0 350.507 1.809 20 70 FDIDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cnn(-c3ccccc3)c2C)C1 ZINC000160707682 524953666 /nfs/dbraw/zinc/95/36/66/524953666.db2.gz QBNYQWVVAUIQNL-MRXNPFEDSA-N 1 0 369.469 1.967 20 70 FDIDRO CCn1nccc1/C=C/C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160706448 524954186 /nfs/dbraw/zinc/95/41/86/524954186.db2.gz QEICBPLOSOWFQX-VANUVFSVSA-N 1 0 354.454 1.668 20 70 FDIDRO COc1ccc(OCCCC(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160719966 524955523 /nfs/dbraw/zinc/95/55/23/524955523.db2.gz KZLYXUCMAOCYDF-UHFFFAOYSA-N 1 0 350.459 1.675 20 70 FDIDRO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160721198 524956735 /nfs/dbraw/zinc/95/67/35/524956735.db2.gz YSYRMMKYRAHLGW-INIZCTEOSA-N 1 0 373.563 1.673 20 70 FDIDRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000160740492 524961912 /nfs/dbraw/zinc/96/19/12/524961912.db2.gz UKWBZNBCWWWFCX-UONOGXRCSA-N 1 0 353.260 1.662 20 70 FDIDRO Cc1c(/C=C/C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cnn1C ZINC000160752549 524963835 /nfs/dbraw/zinc/96/38/35/524963835.db2.gz NTRVFUQSFQQURR-TYFAACHXSA-N 1 0 354.454 1.493 20 70 FDIDRO C[C@@H](CC(=O)c1cccs1)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000160812070 524974506 /nfs/dbraw/zinc/97/45/06/524974506.db2.gz LIYXHPUQSFUWGD-STQMWFEESA-N 1 0 351.472 1.236 20 70 FDIDRO CCCN(CC(=O)NC)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000160816415 524976506 /nfs/dbraw/zinc/97/65/06/524976506.db2.gz KYNFGTFANJRGGB-UHFFFAOYSA-N 1 0 361.486 1.489 20 70 FDIDRO CC[C@@H](C)OCC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000160966021 525006712 /nfs/dbraw/zinc/00/67/12/525006712.db2.gz XSVVBXPDRRSUIB-OAHLLOKOSA-N 1 0 355.523 1.744 20 70 FDIDRO CO[C@H]1CCN(C(=O)c2ccccc2I)[C@@H](C[NH3+])C1 ZINC000161059829 525025206 /nfs/dbraw/zinc/02/52/06/525025206.db2.gz BXLYFAHHNWGYEF-MNOVXSKESA-N 1 0 374.222 1.870 20 70 FDIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000161098144 525032804 /nfs/dbraw/zinc/03/28/04/525032804.db2.gz ISDRGGBBLVMMPC-WBVHZDCISA-N 1 0 372.473 1.738 20 70 FDIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCOc1ccc(Cl)cn1 ZINC000161097090 525033762 /nfs/dbraw/zinc/03/37/62/525033762.db2.gz KGMUSRPHNHJHOJ-CQSZACIVSA-N 1 0 356.854 1.524 20 70 FDIDRO CCOC(=O)c1c(C)oc2nc(CN3CC[C@H](C[NH+](C)C)C3)nc(N)c21 ZINC000161104682 525034694 /nfs/dbraw/zinc/03/46/94/525034694.db2.gz WSXJADNISPDCAX-GFCCVEGCSA-N 1 0 361.446 1.674 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000161135900 525040929 /nfs/dbraw/zinc/04/09/29/525040929.db2.gz QXPCATIUWPRGPO-CQSZACIVSA-N 1 0 350.463 1.968 20 70 FDIDRO CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NC1CC[NH+](C(C)C)CC1)CC2 ZINC000161229448 525060030 /nfs/dbraw/zinc/06/00/30/525060030.db2.gz UGSUGJBUIVURHK-SJORKVTESA-N 1 0 353.507 1.821 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)cnn1-c1ccccc1 ZINC000161249645 525063374 /nfs/dbraw/zinc/06/33/74/525063374.db2.gz WKPKCEKVKYZBKN-QGZVFWFLSA-N 1 0 355.442 1.576 20 70 FDIDRO CCS(=O)(=O)c1cccc(CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000161265193 525067901 /nfs/dbraw/zinc/06/79/01/525067901.db2.gz LHMAOZGZLCOIIS-SJLPKXTDSA-N 1 0 364.511 1.965 20 70 FDIDRO CCS(=O)(=O)NCc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000161336809 525083830 /nfs/dbraw/zinc/08/38/30/525083830.db2.gz IZMHOBJZCTXBHL-HNNXBMFYSA-N 1 0 365.499 1.340 20 70 FDIDRO CN(Cc1ccccc1)C(=O)NCCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161352891 525086462 /nfs/dbraw/zinc/08/64/62/525086462.db2.gz JIPXYZDTKGULCX-JWTNVVGKSA-N 1 0 358.486 1.960 20 70 FDIDRO Cc1sc2ncn(CC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)c(=O)c2c1C ZINC000161372428 525094191 /nfs/dbraw/zinc/09/41/91/525094191.db2.gz CAQSERMVUWJLBX-PBWFPOADSA-N 1 0 360.483 1.816 20 70 FDIDRO C[C@@H]1C[NH+](CCCNC(=O)CCCNC(=O)c2cccnc2)C[C@@H](C)O1 ZINC000161407194 525102709 /nfs/dbraw/zinc/10/27/09/525102709.db2.gz LEYZVPWRIRLRGM-HZPDHXFCSA-N 1 0 362.474 1.207 20 70 FDIDRO Cc1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1Br ZINC000161432621 525106558 /nfs/dbraw/zinc/10/65/58/525106558.db2.gz KIMPDYGBKBZCBQ-CYBMUJFWSA-N 1 0 365.293 1.348 20 70 FDIDRO COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000161494678 525117220 /nfs/dbraw/zinc/11/72/20/525117220.db2.gz BIFBDUOKBWUNHG-AWEZNQCLSA-N 1 0 365.478 1.888 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CC1 ZINC000161045070 258263436 /nfs/dbraw/zinc/26/34/36/258263436.db2.gz UXHOHDHFLLPCNS-ZDUSSCGKSA-N 1 0 371.478 1.341 20 70 FDIDRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000161076576 258263545 /nfs/dbraw/zinc/26/35/45/258263545.db2.gz YSFNZOXZZPZDHX-UHFFFAOYSA-N 1 0 373.457 1.156 20 70 FDIDRO C[C@@H](NC(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1cccs1 ZINC000159381849 173675882 /nfs/dbraw/zinc/67/58/82/173675882.db2.gz ROMXKTPIHGEOIE-UKRRQHHQSA-N 1 0 364.515 1.339 20 70 FDIDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCC3(CCC3)C2)cc1 ZINC000159405979 524662804 /nfs/dbraw/zinc/66/28/04/524662804.db2.gz BUXFCVIPTVRHJN-UHFFFAOYSA-N 1 0 372.469 1.918 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 ZINC000159419778 524666328 /nfs/dbraw/zinc/66/63/28/524666328.db2.gz FZGYHCHRAPVSNW-ZDUSSCGKSA-N 1 0 374.441 1.164 20 70 FDIDRO Cc1cc(S(N)(=O)=O)cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000159455139 524673520 /nfs/dbraw/zinc/67/35/20/524673520.db2.gz GAXGJEPDOFCUGV-KGLIPLIRSA-N 1 0 351.472 1.260 20 70 FDIDRO CC1(C(=O)NCC(=O)N2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000159498937 524685341 /nfs/dbraw/zinc/68/53/41/524685341.db2.gz UBNMMELDNIRMPX-UHFFFAOYSA-N 1 0 359.470 1.264 20 70 FDIDRO C[C@H](CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CC[NH+](C)CC1 ZINC000159524169 524689748 /nfs/dbraw/zinc/68/97/48/524689748.db2.gz YEFVXJGRFIWKFU-NEPJUHHUSA-N 1 0 373.423 1.286 20 70 FDIDRO CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000159546668 524692792 /nfs/dbraw/zinc/69/27/92/524692792.db2.gz IAKLGPMMCRTMAA-BETUJISGSA-N 1 0 371.890 1.557 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 ZINC000159552265 524694485 /nfs/dbraw/zinc/69/44/85/524694485.db2.gz SPDWGHPSVJJCIL-UHFFFAOYSA-N 1 0 360.502 1.756 20 70 FDIDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2coc(S(N)(=O)=O)c2)c1 ZINC000159637274 524712134 /nfs/dbraw/zinc/71/21/34/524712134.db2.gz VNRQQOCKTOHXDC-UHFFFAOYSA-N 1 0 365.455 1.439 20 70 FDIDRO COCC(=O)N(C)CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000159695820 524724026 /nfs/dbraw/zinc/72/40/26/524724026.db2.gz XBRGBTTZKMZELS-UHFFFAOYSA-N 1 0 374.485 1.262 20 70 FDIDRO CNS(=O)(=O)c1csc(C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000159712517 524724863 /nfs/dbraw/zinc/72/48/63/524724863.db2.gz YPUDIXLHIQHENN-UHFFFAOYSA-N 1 0 359.517 1.698 20 70 FDIDRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)co1 ZINC000159724654 524726510 /nfs/dbraw/zinc/72/65/10/524726510.db2.gz NNYMFLAWFWJPLG-OCCSQVGLSA-N 1 0 355.460 1.086 20 70 FDIDRO C[NH+](C)CCN1CCC(NC(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000159734406 524728724 /nfs/dbraw/zinc/72/87/24/524728724.db2.gz RJUQFTDVQOEKBQ-OAHLLOKOSA-N 1 0 364.494 1.067 20 70 FDIDRO O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159805822 524741584 /nfs/dbraw/zinc/74/15/84/524741584.db2.gz KDGSDEHVEZWLDK-LJQANCHMSA-N 1 0 371.481 1.405 20 70 FDIDRO CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)N1CCOCC1 ZINC000159844762 524751553 /nfs/dbraw/zinc/75/15/53/524751553.db2.gz NNFHMOHANXMBCK-GOSISDBHSA-N 1 0 354.539 1.859 20 70 FDIDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000159850345 524753446 /nfs/dbraw/zinc/75/34/46/524753446.db2.gz GTVHPPMUQCCHOC-STQMWFEESA-N 1 0 358.446 1.931 20 70 FDIDRO CN(C(=O)C1CC2(C1)NC(=O)NC2=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159858665 524754774 /nfs/dbraw/zinc/75/47/74/524754774.db2.gz SKBOAYVZLILYLP-LFDOHDQPSA-N 1 0 370.453 1.098 20 70 FDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000159979427 524780345 /nfs/dbraw/zinc/78/03/45/524780345.db2.gz NWYJZWHSYRPSHO-BVBHFADKSA-N 1 0 370.497 1.960 20 70 FDIDRO CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cccc(-c3nccn3C)c2)C1 ZINC000160031709 524791274 /nfs/dbraw/zinc/79/12/74/524791274.db2.gz PQTZOJVXZAXHML-CQSZACIVSA-N 1 0 363.443 1.243 20 70 FDIDRO CC(=O)N1CCCN(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000160022107 524791917 /nfs/dbraw/zinc/79/19/17/524791917.db2.gz YISKQHPVDNWYNI-LPHOPBHVSA-N 1 0 358.486 1.771 20 70 FDIDRO COc1ccc(C)cc1-n1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000160024602 524792310 /nfs/dbraw/zinc/79/23/10/524792310.db2.gz GMZAWUNMZLPOLK-INIZCTEOSA-N 1 0 372.469 1.766 20 70 FDIDRO CC(C)([NH3+])CNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000160031308 524792723 /nfs/dbraw/zinc/79/27/23/524792723.db2.gz LGMJIEACYTXBEM-UHFFFAOYSA-N 1 0 353.488 1.718 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000160045292 524796788 /nfs/dbraw/zinc/79/67/88/524796788.db2.gz QRWBQRCAAAXILW-RTBURBONSA-N 1 0 373.497 1.502 20 70 FDIDRO O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160087010 524806262 /nfs/dbraw/zinc/80/62/62/524806262.db2.gz KQLOHOFSXAWHRC-GASCZTMLSA-N 1 0 371.462 1.701 20 70 FDIDRO [NH3+]CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000160106539 524810639 /nfs/dbraw/zinc/81/06/39/524810639.db2.gz UONSOCHMBGDNCP-CYBMUJFWSA-N 1 0 354.248 1.519 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCc2ccnc(OC)c2)CC[N@@H+]1CCOC ZINC000160126002 524814915 /nfs/dbraw/zinc/81/49/15/524814915.db2.gz NBRYZCHNHLDASS-INIZCTEOSA-N 1 0 350.463 1.733 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1OC[C@@H]1CCCO1 ZINC000160129297 524815849 /nfs/dbraw/zinc/81/58/49/524815849.db2.gz XKBNIOQFSOQDME-SJORKVTESA-N 1 0 362.470 1.821 20 70 FDIDRO Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cn2)n1 ZINC000160144767 524818665 /nfs/dbraw/zinc/81/86/65/524818665.db2.gz VAWWXVATIXZJKN-KRWDZBQOSA-N 1 0 357.458 1.461 20 70 FDIDRO COCC[N@H+](C)CCCNC(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C ZINC000160149743 524819994 /nfs/dbraw/zinc/81/99/94/524819994.db2.gz MQCNKAPQQARUGE-UHFFFAOYSA-N 1 0 363.462 1.069 20 70 FDIDRO Cc1nccn1CCC[N@@H+](C)[C@@H]1CC(=O)N([C@@H](C)c2cccnc2)C1=O ZINC000160259006 524843280 /nfs/dbraw/zinc/84/32/80/524843280.db2.gz VCRYVGMMUVETNO-WMLDXEAASA-N 1 0 355.442 1.797 20 70 FDIDRO COc1ccc(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160269423 524845498 /nfs/dbraw/zinc/84/54/98/524845498.db2.gz LDJYDICUMNIIDY-RTBURBONSA-N 1 0 362.470 1.958 20 70 FDIDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000160293199 524851437 /nfs/dbraw/zinc/85/14/37/524851437.db2.gz BCPOPEMDDPPNIE-HOTGVXAUSA-N 1 0 370.501 1.599 20 70 FDIDRO C[C@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)C[NH+]1CCN(C)CC1 ZINC000160342017 524863707 /nfs/dbraw/zinc/86/37/07/524863707.db2.gz UJLGSHHPZCNILJ-GFCCVEGCSA-N 1 0 362.400 1.450 20 70 FDIDRO Cc1[nH]c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C)c1C(=O)OC(C)C ZINC000160358222 524866192 /nfs/dbraw/zinc/86/61/92/524866192.db2.gz BDZCLIBGSOMWIN-HNNXBMFYSA-N 1 0 365.474 1.773 20 70 FDIDRO CCOC(=O)C[C@@H](C)NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000160355948 524866625 /nfs/dbraw/zinc/86/66/25/524866625.db2.gz ZROGKCMCMCBLPD-QGZVFWFLSA-N 1 0 361.486 1.965 20 70 FDIDRO O=C(CNC(=O)c1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160379026 524873638 /nfs/dbraw/zinc/87/36/38/524873638.db2.gz HCBALBBAIPGOHP-MSOLQXFVSA-N 1 0 359.470 1.301 20 70 FDIDRO COCCOc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000160382488 524874690 /nfs/dbraw/zinc/87/46/90/524874690.db2.gz LASVYGQPAYVPOL-MRXNPFEDSA-N 1 0 363.502 1.915 20 70 FDIDRO Cc1csc(N2CCC(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)CC2)n1 ZINC000160392648 524875279 /nfs/dbraw/zinc/87/52/79/524875279.db2.gz AFWKDHYZDUWJFU-MRXNPFEDSA-N 1 0 366.531 1.631 20 70 FDIDRO Cc1ccc(-c2nc(SCC(=O)NCCN3CC[NH+](C)CC3)n[nH]2)cc1 ZINC000160392950 524876926 /nfs/dbraw/zinc/87/69/26/524876926.db2.gz AGFMSKBBZNKRDG-UHFFFAOYSA-N 1 0 374.514 1.236 20 70 FDIDRO CCc1nc(-c2ccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2)n[nH]1 ZINC000160404713 524881118 /nfs/dbraw/zinc/88/11/18/524881118.db2.gz PIIAONRPTBPGCN-INIZCTEOSA-N 1 0 357.458 1.611 20 70 FDIDRO COc1ccc(COCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160411121 524882755 /nfs/dbraw/zinc/88/27/55/524882755.db2.gz HFMZISAEWOXJAI-QGZVFWFLSA-N 1 0 350.459 1.565 20 70 FDIDRO COc1cccc(-c2nc(C)c(C(=O)NC[C@H](O)C[NH+]3CCCCC3)[nH]2)c1 ZINC000160427705 524887879 /nfs/dbraw/zinc/88/78/79/524887879.db2.gz XXLCBNGGZTXUDY-INIZCTEOSA-N 1 0 372.469 1.970 20 70 FDIDRO CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160447696 524891615 /nfs/dbraw/zinc/89/16/15/524891615.db2.gz RRCLWAGWRCDZGA-GBESFXJTSA-N 1 0 373.497 1.529 20 70 FDIDRO O=C(Cc1csc(-c2cccnc2)n1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160479996 524898892 /nfs/dbraw/zinc/89/88/92/524898892.db2.gz LRSXRXCETCIVJE-INIZCTEOSA-N 1 0 360.483 1.711 20 70 FDIDRO C[S@@](=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160488158 524900535 /nfs/dbraw/zinc/90/05/35/524900535.db2.gz DXJNZNSXHZYGMA-UZEJHQAJSA-N 1 0 364.511 1.922 20 70 FDIDRO O=C(/C=C/c1cncc(F)c1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000160509089 524903521 /nfs/dbraw/zinc/90/35/21/524903521.db2.gz GAJHEFZFGZMZJJ-KAGICYHLSA-N 1 0 355.413 1.986 20 70 FDIDRO Cc1cc(C)n2nc(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)nc2n1 ZINC000160505763 524904093 /nfs/dbraw/zinc/90/40/93/524904093.db2.gz QKGASRMUBPLMDG-HZPDHXFCSA-N 1 0 372.473 1.239 20 70 FDIDRO COc1c(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(C)nn1C ZINC000160514084 524905362 /nfs/dbraw/zinc/90/53/62/524905362.db2.gz RMMODGHBUYOFRL-HZPDHXFCSA-N 1 0 358.442 1.102 20 70 FDIDRO O=C(CC[C@H]1Cc2ccccc2NC1=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160524853 524907722 /nfs/dbraw/zinc/90/77/22/524907722.db2.gz SQHODWJISNHTSG-DLBZAZTESA-N 1 0 359.470 1.541 20 70 FDIDRO COc1ccc(OC)c(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160525875 524909227 /nfs/dbraw/zinc/90/92/27/524909227.db2.gz AKCRDSDDQXDSGU-INIZCTEOSA-N 1 0 350.459 1.599 20 70 FDIDRO CC(=O)NCc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160531054 524910169 /nfs/dbraw/zinc/91/01/69/524910169.db2.gz SKAFQTWPJZCFAG-UXHICEINSA-N 1 0 373.497 1.820 20 70 FDIDRO Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160599736 524925529 /nfs/dbraw/zinc/92/55/29/524925529.db2.gz NKMPNNDYLVUJDD-INIZCTEOSA-N 1 0 359.474 1.897 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(-n2cnnn2)c1 ZINC000160728680 524958352 /nfs/dbraw/zinc/95/83/52/524958352.db2.gz JYAPGCCWPSHIJF-ZWKOTPCHSA-N 1 0 370.457 1.160 20 70 FDIDRO NC(=O)[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)Cc1ccc(F)cc1 ZINC000160772213 524968907 /nfs/dbraw/zinc/96/89/07/524968907.db2.gz GTXGAXNVXMCXEB-WBVHZDCISA-N 1 0 362.449 1.253 20 70 FDIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000160784062 524970517 /nfs/dbraw/zinc/97/05/17/524970517.db2.gz CPXPGHSEYOYHQI-FUHWJXTLSA-N 1 0 356.470 1.886 20 70 FDIDRO COC(=O)c1csc(NC(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000160787659 524971208 /nfs/dbraw/zinc/97/12/08/524971208.db2.gz PIHYQCHBKOEZCL-UHFFFAOYSA-N 1 0 354.476 1.682 20 70 FDIDRO Cc1cc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccc1N(C)C ZINC000160799856 524973658 /nfs/dbraw/zinc/97/36/58/524973658.db2.gz VBFNTDUNPROJMY-GOSISDBHSA-N 1 0 373.501 1.831 20 70 FDIDRO COc1ccc(S(C)(=O)=O)cc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000160927863 524998981 /nfs/dbraw/zinc/99/89/81/524998981.db2.gz XRPSLKYFRQRRNN-UHFFFAOYSA-N 1 0 356.488 1.947 20 70 FDIDRO Cc1c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cnn1-c1ccccc1 ZINC000160981139 525008805 /nfs/dbraw/zinc/00/88/05/525008805.db2.gz CFBZGCOEHHKZCM-KRWDZBQOSA-N 1 0 367.453 1.816 20 70 FDIDRO CC(C)C[C@H](Nc1nc(C(C)C)nc(N(C)C)n1)C(=O)NCC[NH+](C)C ZINC000161003526 525014559 /nfs/dbraw/zinc/01/45/59/525014559.db2.gz KXXZMRZSLQBUBE-AWEZNQCLSA-N 1 0 365.526 1.565 20 70 FDIDRO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCCS2(=O)=O)c1 ZINC000161124222 525040144 /nfs/dbraw/zinc/04/01/44/525040144.db2.gz WZFYNWAJOLDCJG-QGZVFWFLSA-N 1 0 367.515 1.905 20 70 FDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000161216631 525057585 /nfs/dbraw/zinc/05/75/85/525057585.db2.gz HNXFGWUHWHTNEH-HNNXBMFYSA-N 1 0 371.503 1.770 20 70 FDIDRO C[NH+](C)CC(=O)N1CCN(C(=O)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000161328610 525083231 /nfs/dbraw/zinc/08/32/31/525083231.db2.gz BHEQGSRWBNLNIR-UHFFFAOYSA-N 1 0 373.375 1.360 20 70 FDIDRO CC(C)OCCS(=O)(=O)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161376819 525095781 /nfs/dbraw/zinc/09/57/81/525095781.db2.gz ZHDODRODIPUJTB-UHFFFAOYSA-N 1 0 361.552 1.235 20 70 FDIDRO Cc1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c2cccnc12 ZINC000161404593 525100906 /nfs/dbraw/zinc/10/09/06/525100906.db2.gz CQDBEHBMWOUFOY-UHFFFAOYSA-N 1 0 363.483 1.526 20 70 FDIDRO Cn1cnc(-c2cccc(NC(=O)N3CCC([N@H+](C)CCCO)CC3)c2)n1 ZINC000161437797 525108031 /nfs/dbraw/zinc/10/80/31/525108031.db2.gz XXXPWXLZMAZBGG-UHFFFAOYSA-N 1 0 372.473 1.793 20 70 FDIDRO C[NH+](C)CCN1C[C@H](C(=O)N2CCO[C@H](c3cccs3)C2)CC1=O ZINC000161495656 525117835 /nfs/dbraw/zinc/11/78/35/525117835.db2.gz KJZMIUJQASCQSN-KGLIPLIRSA-N 1 0 351.472 1.058 20 70 FDIDRO CC(C)CCOc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000161505529 525119240 /nfs/dbraw/zinc/11/92/40/525119240.db2.gz RURWKXSEPUEPEZ-KRWDZBQOSA-N 1 0 358.504 1.702 20 70 FDIDRO Cc1c(C(=O)N[C@H](C)C[C@@H](O)c2ccccc2)nnn1C1CC[NH2+]CC1 ZINC000161508533 525121044 /nfs/dbraw/zinc/12/10/44/525121044.db2.gz PLQANCJOJPCLQX-CXAGYDPISA-N 1 0 357.458 1.753 20 70 FDIDRO O=C(NCCc1ccc(Br)cc1)NCCN1CC[NH2+]CC1 ZINC000217544775 537456160 /nfs/dbraw/zinc/45/61/60/537456160.db2.gz GROCUWBFLXEPFU-UHFFFAOYSA-N 1 0 355.280 1.196 20 70 FDIDRO C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1)c1ccccc1 ZINC000160250736 173703804 /nfs/dbraw/zinc/70/38/04/173703804.db2.gz MRHDZPCMFBURHP-WMLDXEAASA-N 1 0 373.478 1.899 20 70 FDIDRO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000160345898 173707970 /nfs/dbraw/zinc/70/79/70/173707970.db2.gz YSIQFHNJJLMMMN-CQSZACIVSA-N 1 0 373.544 1.749 20 70 FDIDRO Cc1cccc(-n2cc(C(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)nn2)c1 ZINC000159394471 524659750 /nfs/dbraw/zinc/65/97/50/524659750.db2.gz BXSRYCZJOUSDBW-HZPDHXFCSA-N 1 0 357.458 1.805 20 70 FDIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000159414211 524664008 /nfs/dbraw/zinc/66/40/08/524664008.db2.gz CZAIWXBCNXGWRD-MRXNPFEDSA-N 1 0 361.877 1.902 20 70 FDIDRO CCCCC[C@H](C)NC(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159422966 524666030 /nfs/dbraw/zinc/66/60/30/524666030.db2.gz KVCNOFXPYGMONB-DOTOQJQBSA-N 1 0 352.523 1.486 20 70 FDIDRO COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159419119 524666512 /nfs/dbraw/zinc/66/65/12/524666512.db2.gz POMKYDRROQQZCJ-LLVKDONJSA-N 1 0 362.396 1.570 20 70 FDIDRO CNC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1C ZINC000159443686 524671281 /nfs/dbraw/zinc/67/12/81/524671281.db2.gz RMSXURHJUGQKKF-OAHLLOKOSA-N 1 0 374.485 1.387 20 70 FDIDRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2cccc(-n3nnnc3C)c2)C[C@@H]1C ZINC000159469951 524679351 /nfs/dbraw/zinc/67/93/51/524679351.db2.gz MOOJEAPLTLNEJN-OKILXGFUSA-N 1 0 373.461 1.544 20 70 FDIDRO C[NH+](C)C1(CNC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CCOCC1 ZINC000159546404 524692447 /nfs/dbraw/zinc/69/24/47/524692447.db2.gz HDZFQUSQCATWCI-NSHDSACASA-N 1 0 374.407 1.760 20 70 FDIDRO Cc1ccccc1C(=O)NCC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000159564055 524698385 /nfs/dbraw/zinc/69/83/85/524698385.db2.gz GINCBRHYGMDZLG-SFHVURJKSA-N 1 0 373.497 1.828 20 70 FDIDRO O=C(CCNC(=O)c1ccco1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000159572316 524700448 /nfs/dbraw/zinc/70/04/48/524700448.db2.gz CPLQIGNLOJYUBU-INIZCTEOSA-N 1 0 363.458 1.503 20 70 FDIDRO CCC(CC)[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)N1CCOCC1 ZINC000159581057 524702817 /nfs/dbraw/zinc/70/28/17/524702817.db2.gz WABKMROTSVOOCS-IAGOWNOFSA-N 1 0 357.564 1.677 20 70 FDIDRO Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159624240 524709570 /nfs/dbraw/zinc/70/95/70/524709570.db2.gz PQKWWRZBPJFQGL-LRDDRELGSA-N 1 0 362.409 1.141 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 ZINC000159644177 524713083 /nfs/dbraw/zinc/71/30/83/524713083.db2.gz FOJBOHLUWZNLAC-LJQANCHMSA-N 1 0 373.545 1.934 20 70 FDIDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000159686584 524721252 /nfs/dbraw/zinc/72/12/52/524721252.db2.gz RZNIFHFTXHTBGD-UHFFFAOYSA-N 1 0 360.502 1.353 20 70 FDIDRO C[N@@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)C[C@H]1CCC[C@@H]1O ZINC000159707976 524724993 /nfs/dbraw/zinc/72/49/93/524724993.db2.gz ISYIGKKEOXCAJL-AEFFLSMTSA-N 1 0 359.470 1.288 20 70 FDIDRO CC(C)CCn1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000159743738 524731031 /nfs/dbraw/zinc/73/10/31/524731031.db2.gz SXTMZBJKSFJMEJ-HNNXBMFYSA-N 1 0 364.494 1.638 20 70 FDIDRO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159753590 524733332 /nfs/dbraw/zinc/73/33/32/524733332.db2.gz YFTIUISYXVTWOU-ZBFHGGJFSA-N 1 0 367.515 1.306 20 70 FDIDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCOCC1 ZINC000159767936 524734128 /nfs/dbraw/zinc/73/41/28/524734128.db2.gz IUXIEEFMRWPPJU-OAHLLOKOSA-N 1 0 368.499 1.612 20 70 FDIDRO CC(C)[N@H+](CCNS(=O)(=O)c1cnn(C)c1)CCc1nccs1 ZINC000159774165 524736226 /nfs/dbraw/zinc/73/62/26/524736226.db2.gz CQPZIEPVEQUFDQ-UHFFFAOYSA-N 1 0 357.505 1.108 20 70 FDIDRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000159812243 524743571 /nfs/dbraw/zinc/74/35/71/524743571.db2.gz GXNFFYATDBCQCJ-OXJNMPFZSA-N 1 0 359.470 1.433 20 70 FDIDRO O=C(c1cc(N2CCNC2=O)ccc1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159863528 524756499 /nfs/dbraw/zinc/75/64/99/524756499.db2.gz KCLZNHZXQNJZAM-UHFFFAOYSA-N 1 0 360.433 1.960 20 70 FDIDRO C[NH+]1CCN(c2cc(C(=O)N[C@@H]3c4ccccc4C[C@H]3O)ccn2)CC1 ZINC000159867177 524757470 /nfs/dbraw/zinc/75/74/70/524757470.db2.gz JBCOKNCYJQAFGX-IEBWSBKVSA-N 1 0 352.438 1.222 20 70 FDIDRO COc1cccc([C@@H](O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000159948922 524775242 /nfs/dbraw/zinc/77/52/42/524775242.db2.gz QDHYLHHBRBVPST-LJQANCHMSA-N 1 0 355.438 1.904 20 70 FDIDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000160005156 524787516 /nfs/dbraw/zinc/78/75/16/524787516.db2.gz OHDXJTSIBWTRBG-SJLPKXTDSA-N 1 0 367.515 1.548 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(N2CCCNC2=O)c1 ZINC000160012984 524788974 /nfs/dbraw/zinc/78/89/74/524788974.db2.gz XNICGTVWOMTQMW-KRWDZBQOSA-N 1 0 360.458 1.183 20 70 FDIDRO C[NH+](C)CCN1CCC(NC(=O)N2CCO[C@H](c3ccsc3)C2)CC1 ZINC000160014105 524789172 /nfs/dbraw/zinc/78/91/72/524789172.db2.gz HIKYMURNASLWBS-KRWDZBQOSA-N 1 0 366.531 1.857 20 70 FDIDRO CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000160031766 524791582 /nfs/dbraw/zinc/79/15/82/524791582.db2.gz IUGBBQNJSJQVST-RTBURBONSA-N 1 0 360.502 1.801 20 70 FDIDRO O=C(NCCc1nnc(-c2ccccc2)o1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000160043655 524794854 /nfs/dbraw/zinc/79/48/54/524794854.db2.gz OIBSNRQDFFRYEP-INIZCTEOSA-N 1 0 353.426 1.935 20 70 FDIDRO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000160038221 524795439 /nfs/dbraw/zinc/79/54/39/524795439.db2.gz CRIQAGAQMKEIMR-XLIONFOSSA-N 1 0 357.498 1.926 20 70 FDIDRO CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H]([NH+]3CCCC3)CC1)CC2 ZINC000160060632 524798425 /nfs/dbraw/zinc/79/84/25/524798425.db2.gz PVZZFHJBURXUPT-JKSUJKDBSA-N 1 0 360.506 1.815 20 70 FDIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000160067131 524800930 /nfs/dbraw/zinc/80/09/30/524800930.db2.gz STGKRHTUZSPTBI-KGLIPLIRSA-N 1 0 371.528 1.502 20 70 FDIDRO CC[NH+]1CCN(CCNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000160081291 524802566 /nfs/dbraw/zinc/80/25/66/524802566.db2.gz HCUNGMDPKXOYIB-RHSMWYFYSA-N 1 0 364.515 1.021 20 70 FDIDRO CC(C)[C@@H](CNC(=O)NC[C@H]1CCCS1(=O)=O)[NH+]1CCC(C)CC1 ZINC000160116311 524811861 /nfs/dbraw/zinc/81/18/61/524811861.db2.gz NBLIUSZXPQMGJA-HZPDHXFCSA-N 1 0 359.536 1.619 20 70 FDIDRO O=C(N[C@H](Cc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccco1 ZINC000160124330 524814510 /nfs/dbraw/zinc/81/45/10/524814510.db2.gz KQPLHJFOYPUIBM-FGTMMUONSA-N 1 0 367.449 1.974 20 70 FDIDRO CNC(=O)[C@@H]1CCCN1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000160188821 524826405 /nfs/dbraw/zinc/82/64/05/524826405.db2.gz VOMANLDZXAQFMG-PBHICJAKSA-N 1 0 359.474 1.527 20 70 FDIDRO C[C@H](c1ccccc1)N1C[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1=O ZINC000160230415 524837823 /nfs/dbraw/zinc/83/78/23/524837823.db2.gz JEZPQYNDHNUMFL-NEWSRXKRSA-N 1 0 373.497 1.559 20 70 FDIDRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000160246587 524841248 /nfs/dbraw/zinc/84/12/48/524841248.db2.gz KWROTQRWNFQHEQ-UHFFFAOYSA-N 1 0 373.457 1.204 20 70 FDIDRO O=C(CNC(=O)c1ccsc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160356769 524866768 /nfs/dbraw/zinc/86/67/68/524866768.db2.gz ZIKGPFOIFARCMR-HOTGVXAUSA-N 1 0 365.499 1.362 20 70 FDIDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160374832 524870838 /nfs/dbraw/zinc/87/08/38/524870838.db2.gz PFPOYYUYNCJVIX-IBGZPJMESA-N 1 0 365.493 1.916 20 70 FDIDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C(F)(F)C1(O)CCC1 ZINC000160376894 524872550 /nfs/dbraw/zinc/87/25/50/524872550.db2.gz SLLIOHRJFCQBHJ-ZFWWWQNUSA-N 1 0 353.413 1.959 20 70 FDIDRO O=C(Cc1ccccc1)NCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160381307 524874139 /nfs/dbraw/zinc/87/41/39/524874139.db2.gz JFPULFWTCPPAEG-RTBURBONSA-N 1 0 373.497 1.229 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000160412579 524882622 /nfs/dbraw/zinc/88/26/22/524882622.db2.gz GFZRGYNQXTXOTJ-GJZGRUSLSA-N 1 0 367.490 1.602 20 70 FDIDRO CNC(=O)CN1CCC(NC(=O)NC2(c3cccc(OC)c3)CC2)CC1 ZINC000160448360 524890949 /nfs/dbraw/zinc/89/09/49/524890949.db2.gz JRVUJIKUEWLODJ-UHFFFAOYSA-N 1 0 360.458 1.194 20 70 FDIDRO CCN(CC)C(=O)CCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160503523 524903788 /nfs/dbraw/zinc/90/37/88/524903788.db2.gz XAMYNTMXCYZYDH-IRXDYDNUSA-N 1 0 353.507 1.519 20 70 FDIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000160527509 524908024 /nfs/dbraw/zinc/90/80/24/524908024.db2.gz LPWKDTJIDNQPKM-GJZGRUSLSA-N 1 0 369.531 1.749 20 70 FDIDRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(=O)NCC(F)(F)F ZINC000160520560 524908351 /nfs/dbraw/zinc/90/83/51/524908351.db2.gz ZIIKGNBBVVQYIH-MRVPVSSYSA-N 1 0 352.744 1.720 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000160571110 524918890 /nfs/dbraw/zinc/91/88/90/524918890.db2.gz GTWGOLQBNQGCLD-DZGCQCFKSA-N 1 0 369.387 1.874 20 70 FDIDRO Cc1c(C(=O)NCC2CC[NH+](CCO)CC2)cnn1-c1ccccc1F ZINC000160568941 524919427 /nfs/dbraw/zinc/91/94/27/524919427.db2.gz XJOGHZFMSFFJHC-UHFFFAOYSA-N 1 0 360.433 1.754 20 70 FDIDRO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160579495 524920847 /nfs/dbraw/zinc/92/08/47/524920847.db2.gz YGNKYRAKBPHJIU-CJNGLKHVSA-N 1 0 367.877 1.421 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000160665417 524942392 /nfs/dbraw/zinc/94/23/92/524942392.db2.gz FXZGEXMKMVYXKU-RTBURBONSA-N 1 0 373.497 1.041 20 70 FDIDRO COc1ccc(-c2nnc(CNC(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)[nH]2)cc1 ZINC000160669765 524946216 /nfs/dbraw/zinc/94/62/16/524946216.db2.gz KHRHOFKGLKTSPB-OAHLLOKOSA-N 1 0 370.457 1.764 20 70 FDIDRO Cc1ccc(CCC(=O)NCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160684644 524948171 /nfs/dbraw/zinc/94/81/71/524948171.db2.gz FLQKDWPORKTBKK-SFHVURJKSA-N 1 0 361.486 1.007 20 70 FDIDRO CCS(=O)(=O)CCN(C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000160694295 524949224 /nfs/dbraw/zinc/94/92/24/524949224.db2.gz UESDCXWRRHTXLA-UHFFFAOYSA-N 1 0 359.536 1.717 20 70 FDIDRO CC(C)CC(=O)NCCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160687286 524949272 /nfs/dbraw/zinc/94/92/72/524949272.db2.gz BCLFVQIBHUSDDE-IAGOWNOFSA-N 1 0 353.507 1.423 20 70 FDIDRO COC(=O)CC1([NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)CCOCC1 ZINC000160703401 524950821 /nfs/dbraw/zinc/95/08/21/524950821.db2.gz KYOFAEGDOHSUCP-UHFFFAOYSA-N 1 0 354.491 1.973 20 70 FDIDRO Cc1cnn(Cc2cc(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)no2)c1 ZINC000160699197 524952075 /nfs/dbraw/zinc/95/20/75/524952075.db2.gz OLAXSDJZRDMJSY-UHFFFAOYSA-N 1 0 372.473 1.081 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(-n2cnnn2)c1 ZINC000160728424 524957687 /nfs/dbraw/zinc/95/76/87/524957687.db2.gz JYAPGCCWPSHIJF-ROUUACIJSA-N 1 0 370.457 1.160 20 70 FDIDRO O=C(Cc1c[nH]c2ncccc12)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160745423 524962551 /nfs/dbraw/zinc/96/25/51/524962551.db2.gz MOEKBJRHOPXSPC-ROUUACIJSA-N 1 0 356.470 1.990 20 70 FDIDRO O=C(NC[C@@H](O)COc1ccc(F)cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160785649 524970308 /nfs/dbraw/zinc/97/03/08/524970308.db2.gz CXWVSWJVFIBXRM-DOTOQJQBSA-N 1 0 365.449 1.882 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC[NH2+]CC3)C2)cc1 ZINC000160847948 524981072 /nfs/dbraw/zinc/98/10/72/524981072.db2.gz WBBJMTZFPRFZKY-MRXNPFEDSA-N 1 0 365.499 1.218 20 70 FDIDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000160888051 524989498 /nfs/dbraw/zinc/98/94/98/524989498.db2.gz ATMPZXLAOWBRAE-CYBMUJFWSA-N 1 0 374.532 1.200 20 70 FDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000160918736 524995716 /nfs/dbraw/zinc/99/57/16/524995716.db2.gz BQQUYJSQMBOXPJ-ROUUACIJSA-N 1 0 363.506 1.804 20 70 FDIDRO NC(=O)CNC(=O)c1ccc(CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000160951893 525002065 /nfs/dbraw/zinc/00/20/65/525002065.db2.gz VULFXZOKTATPDA-UHFFFAOYSA-N 1 0 372.513 1.788 20 70 FDIDRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cccc1S(N)(=O)=O ZINC000160973387 525005741 /nfs/dbraw/zinc/00/57/41/525005741.db2.gz XCNQPMGFISJXRC-OAHLLOKOSA-N 1 0 367.515 1.740 20 70 FDIDRO COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)Nc1nocc1C)c1ccccc1 ZINC000161054029 525024542 /nfs/dbraw/zinc/02/45/42/525024542.db2.gz DKSLEAAMOUIVTP-MRXNPFEDSA-N 1 0 374.441 1.747 20 70 FDIDRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cc(C(=O)OC)cs3)C2)CC1 ZINC000161069539 525026222 /nfs/dbraw/zinc/02/62/22/525026222.db2.gz ZSUVCPZYOCVFPV-AWEZNQCLSA-N 1 0 366.487 1.778 20 70 FDIDRO COCc1nc2n(n1)C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)CC2 ZINC000161116098 525037154 /nfs/dbraw/zinc/03/71/54/525037154.db2.gz LUYAUDBVRDZOOE-YMAMQOFZSA-N 1 0 364.494 1.159 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000161216688 525059257 /nfs/dbraw/zinc/05/92/57/525059257.db2.gz FRERJGPSOOIFPP-BXUZGUMPSA-N 1 0 368.275 1.778 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000161255635 525066323 /nfs/dbraw/zinc/06/63/23/525066323.db2.gz AJRSHDIUOBOOPK-WBVHZDCISA-N 1 0 369.469 1.626 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cnn1-c1ccccc1F ZINC000161265890 525067681 /nfs/dbraw/zinc/06/76/81/525067681.db2.gz WEHCVKGQCWJYBQ-LBPRGKRZSA-N 1 0 373.432 1.857 20 70 FDIDRO CCC[NH+]1CCC(NC(=O)N(C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000161267133 525068919 /nfs/dbraw/zinc/06/89/19/525068919.db2.gz ZLRCELPFQWWMRB-UHFFFAOYSA-N 1 0 372.469 1.798 20 70 FDIDRO Cc1c(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000161295510 525074677 /nfs/dbraw/zinc/07/46/77/525074677.db2.gz BEOQIXYVCNQMHU-UHFFFAOYSA-N 1 0 369.469 1.967 20 70 FDIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC3(C2)OCCO3)CC1 ZINC000161317232 525080690 /nfs/dbraw/zinc/08/06/90/525080690.db2.gz ZCJWUDODKOIAEM-OAHLLOKOSA-N 1 0 360.458 1.765 20 70 FDIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC3(C2)OCCO3)CC1 ZINC000161317098 525080898 /nfs/dbraw/zinc/08/08/98/525080898.db2.gz ZCJWUDODKOIAEM-HNNXBMFYSA-N 1 0 360.458 1.765 20 70 FDIDRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000161476126 525116417 /nfs/dbraw/zinc/11/64/17/525116417.db2.gz BGOKFKZRYXCPOC-ZDUSSCGKSA-N 1 0 366.487 1.276 20 70 FDIDRO Cc1c(C(=O)N[C@H](C)C[C@H](O)c2ccccc2)nnn1C1CC[NH2+]CC1 ZINC000161508360 525121326 /nfs/dbraw/zinc/12/13/26/525121326.db2.gz PLQANCJOJPCLQX-DYVFJYSZSA-N 1 0 357.458 1.753 20 70 FDIDRO O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)c1ccc2c(c1)OCCO2 ZINC000218102674 537459907 /nfs/dbraw/zinc/45/99/07/537459907.db2.gz DJVAWTHVESOMSC-CYBMUJFWSA-N 1 0 361.423 1.410 20 70 FDIDRO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160191335 173701719 /nfs/dbraw/zinc/70/17/19/173701719.db2.gz OEPAUPISMXMQQQ-INIZCTEOSA-N 1 0 367.515 1.599 20 70 FDIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000217179466 258395201 /nfs/dbraw/zinc/39/52/01/258395201.db2.gz MNGZBAWBRMUDPR-KDOFPFPSSA-N 1 0 350.463 1.088 20 70 FDIDRO C[C@@H]1C[N@@H+](CCCNC(=O)CCNC(=O)C2CCCCC2)C[C@H](C)O1 ZINC000159392369 524659211 /nfs/dbraw/zinc/65/92/11/524659211.db2.gz DOPVQCZIMBFPTQ-IYBDPMFKSA-N 1 0 353.507 1.689 20 70 FDIDRO CCC(CC)[C@H](CNC(=O)NCc1cnn(C)c1C)[NH+]1CCOCC1 ZINC000159502814 524685290 /nfs/dbraw/zinc/68/52/90/524685290.db2.gz OKNLRDRTBXVDPY-KRWDZBQOSA-N 1 0 351.495 1.665 20 70 FDIDRO CC(C)OC(=O)CCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000159536557 524693862 /nfs/dbraw/zinc/69/38/62/524693862.db2.gz STXJVLCYOQTZGE-INIZCTEOSA-N 1 0 356.511 1.289 20 70 FDIDRO C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159557764 524698098 /nfs/dbraw/zinc/69/80/98/524698098.db2.gz GQEWACRAGWXOBB-OALUTQOASA-N 1 0 373.497 1.632 20 70 FDIDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159644605 524713278 /nfs/dbraw/zinc/71/32/78/524713278.db2.gz NTGYIZFBRHROIK-INIZCTEOSA-N 1 0 372.473 1.910 20 70 FDIDRO CCS(=O)(=O)CCN(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000159652543 524714659 /nfs/dbraw/zinc/71/46/59/524714659.db2.gz XWFSSOCCNQADLN-UHFFFAOYSA-N 1 0 367.515 1.859 20 70 FDIDRO COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159669251 524717836 /nfs/dbraw/zinc/71/78/36/524717836.db2.gz CEIZICXBBJVQEB-SHQCLWGWSA-N 1 0 359.470 1.991 20 70 FDIDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000159662650 524717852 /nfs/dbraw/zinc/71/78/52/524717852.db2.gz IRAJXYOEWIJOTO-DLBZAZTESA-N 1 0 365.499 1.224 20 70 FDIDRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000159814879 524745003 /nfs/dbraw/zinc/74/50/03/524745003.db2.gz DWDXNJMHVCQBIX-IRXDYDNUSA-N 1 0 359.470 1.575 20 70 FDIDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000159850703 524752633 /nfs/dbraw/zinc/75/26/33/524752633.db2.gz GTVHPPMUQCCHOC-CHWSQXEVSA-N 1 0 358.446 1.931 20 70 FDIDRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159857393 524755261 /nfs/dbraw/zinc/75/52/61/524755261.db2.gz MAHJAQUNLHCBPW-UONOGXRCSA-N 1 0 358.446 1.788 20 70 FDIDRO CCN(C(=O)N[C@@H](C)Cn1cncn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159880703 524759944 /nfs/dbraw/zinc/75/99/44/524759944.db2.gz FYECVGQRTJDIIT-FUHWJXTLSA-N 1 0 356.474 1.973 20 70 FDIDRO C[C@@]1(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CCCN1C(=O)c1ccccc1 ZINC000159932835 524770143 /nfs/dbraw/zinc/77/01/43/524770143.db2.gz HEYCPHHCTVZZFQ-NQIIRXRSSA-N 1 0 373.497 1.644 20 70 FDIDRO C[C@H](C[C@@H](O)c1ccccc1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000160011630 524789071 /nfs/dbraw/zinc/78/90/71/524789071.db2.gz CEZSEQJYLHTSGB-VQIMIIECSA-N 1 0 362.518 1.824 20 70 FDIDRO C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)CN1CCOCC1 ZINC000160017538 524789355 /nfs/dbraw/zinc/78/93/55/524789355.db2.gz ZDWBMPFYFJQQDK-UYAOXDASSA-N 1 0 374.529 1.919 20 70 FDIDRO CC1CCC(N2C[C@@H](C(=O)NC[C@@H](O)C[NH+]3CCCCC3)CC2=O)CC1 ZINC000160214904 524832925 /nfs/dbraw/zinc/83/29/25/524832925.db2.gz FKTJHCODPCDEQS-JYSRZZCRSA-N 1 0 365.518 1.377 20 70 FDIDRO Cc1nn(C)c(C)c1CCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160211650 524833663 /nfs/dbraw/zinc/83/36/63/524833663.db2.gz GMVBTFOKRRAPPA-RBUKOAKNSA-N 1 0 362.518 1.854 20 70 FDIDRO C[C@H](c1ccc(NC(=O)C(=O)NCCn2cccc2)cc1)N1CCOCC1 ZINC000160244643 524839702 /nfs/dbraw/zinc/83/97/02/524839702.db2.gz JQYAEDMEIAEESD-MRXNPFEDSA-N 1 0 370.453 1.636 20 70 FDIDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c(OC)c1 ZINC000160330402 524858669 /nfs/dbraw/zinc/85/86/69/524858669.db2.gz AGFUKEYEAOYCPU-GXTWGEPZSA-N 1 0 373.457 1.925 20 70 FDIDRO CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)co1 ZINC000160380906 524873058 /nfs/dbraw/zinc/87/30/58/524873058.db2.gz AGZACYUFQCGJRF-OCCSQVGLSA-N 1 0 355.460 1.086 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccn(-c2c(F)cccc2F)n1 ZINC000160414712 524883573 /nfs/dbraw/zinc/88/35/73/524883573.db2.gz LBSQXDVSJZGFJI-ZDUSSCGKSA-N 1 0 364.396 1.727 20 70 FDIDRO COCc1nc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cs1 ZINC000160494834 524901897 /nfs/dbraw/zinc/90/18/97/524901897.db2.gz OILSWMIENAUIBB-HUUCEWRRSA-N 1 0 353.488 1.787 20 70 FDIDRO C[C@@H]1CN(C[C@@H]2CCCN2c2ncc(C(N)=O)cc2Cl)C[C@H](C)O1 ZINC000160507735 524903854 /nfs/dbraw/zinc/90/38/54/524903854.db2.gz KXVOGAKRYUVGGK-SCRDCRAPSA-N 1 0 352.866 1.912 20 70 FDIDRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160571094 524917697 /nfs/dbraw/zinc/91/76/97/524917697.db2.gz LZFPOCGZOSUNCT-KDOFPFPSSA-N 1 0 359.470 1.715 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000160575242 524918801 /nfs/dbraw/zinc/91/88/01/524918801.db2.gz RODASLOKUMKSFB-RBUKOAKNSA-N 1 0 373.497 1.644 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(N2CCCC2=O)ccc1F ZINC000160584316 524923130 /nfs/dbraw/zinc/92/31/30/524923130.db2.gz IQNGBSINHCAIAJ-OAHLLOKOSA-N 1 0 363.433 1.529 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ncccc1OCC(F)(F)F ZINC000160610456 524930306 /nfs/dbraw/zinc/93/03/06/524930306.db2.gz MEQBOCBBNPMDTP-GFCCVEGCSA-N 1 0 361.364 1.599 20 70 FDIDRO Cc1nn(CC(C)C)c(C)c1CC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160625133 524931664 /nfs/dbraw/zinc/93/16/64/524931664.db2.gz GVVWRYMLNHJRBV-UHFFFAOYSA-N 1 0 350.507 1.519 20 70 FDIDRO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160653191 524937345 /nfs/dbraw/zinc/93/73/45/524937345.db2.gz XGVKQVXBWPNOKG-IXDOHACOSA-N 1 0 358.421 1.257 20 70 FDIDRO CCOC(=O)C1(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CCC1 ZINC000160705625 524953614 /nfs/dbraw/zinc/95/36/14/524953614.db2.gz XAWVVLOFXLHAHS-SJORKVTESA-N 1 0 360.454 1.471 20 70 FDIDRO COc1cc(CCC(=O)NCC2CC[NH+](CCO)CC2)cc(OC)c1 ZINC000160714528 524954948 /nfs/dbraw/zinc/95/49/48/524954948.db2.gz RNEVRWOOMHYODL-UHFFFAOYSA-N 1 0 350.459 1.457 20 70 FDIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000160783940 524970007 /nfs/dbraw/zinc/97/00/07/524970007.db2.gz CPXPGHSEYOYHQI-AEFFLSMTSA-N 1 0 356.470 1.886 20 70 FDIDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)C(=O)N(C)CC(=O)NC1CC1 ZINC000160857262 524983023 /nfs/dbraw/zinc/98/30/23/524983023.db2.gz NMGUCXCYSSGSLR-HUUCEWRRSA-N 1 0 369.469 1.648 20 70 FDIDRO CCOC(=O)[C@@H]1CC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000160905179 524995291 /nfs/dbraw/zinc/99/52/91/524995291.db2.gz WMVBNOSBYSDPRO-IKGGRYGDSA-N 1 0 368.522 1.289 20 70 FDIDRO COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)CC2 ZINC000160949204 525001818 /nfs/dbraw/zinc/00/18/18/525001818.db2.gz VCLXEJCCFVMCAD-HNNXBMFYSA-N 1 0 364.494 1.113 20 70 FDIDRO NC(=O)CNC(=O)c1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000160999689 525012927 /nfs/dbraw/zinc/01/29/27/525012927.db2.gz YCYPAYFAGAZIOY-UHFFFAOYSA-N 1 0 366.465 1.660 20 70 FDIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161052241 525022795 /nfs/dbraw/zinc/02/27/95/525022795.db2.gz HVLSKTWDDNMMQR-MRXNPFEDSA-N 1 0 358.446 1.714 20 70 FDIDRO CC(C)[C@@H](C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)[NH+](C)C ZINC000161075808 525029420 /nfs/dbraw/zinc/02/94/20/525029420.db2.gz LMEYAPIVROPIMC-KUHUBIRLSA-N 1 0 374.485 1.795 20 70 FDIDRO C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000161083704 525030124 /nfs/dbraw/zinc/03/01/24/525030124.db2.gz JLHGFJUBDACULJ-ZACQAIPSSA-N 1 0 350.507 1.269 20 70 FDIDRO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(C[NH2+]CC)CC2)c1 ZINC000161083856 525031848 /nfs/dbraw/zinc/03/18/48/525031848.db2.gz TVYXCZHGEJHQPE-UHFFFAOYSA-N 1 0 371.478 1.586 20 70 FDIDRO CC[NH+](CC)CCNC(=O)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000161117799 525037657 /nfs/dbraw/zinc/03/76/57/525037657.db2.gz FYVOLNQNIMZJRA-HNNXBMFYSA-N 1 0 355.504 1.798 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)CC1 ZINC000161118102 525037743 /nfs/dbraw/zinc/03/77/43/525037743.db2.gz BUJFPRKMGJTVPS-UHFFFAOYSA-N 1 0 362.499 1.923 20 70 FDIDRO Cn1cnc(-c2ccc(NC(=O)NC3CCN(CC[NH+](C)C)CC3)cc2)n1 ZINC000161122642 525037894 /nfs/dbraw/zinc/03/78/94/525037894.db2.gz BFNBHXPTYXCMGV-UHFFFAOYSA-N 1 0 371.489 1.630 20 70 FDIDRO C[C@H](NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)C(=O)N1CCCCC1 ZINC000161159112 525045677 /nfs/dbraw/zinc/04/56/77/525045677.db2.gz OVEGCEAOJRCNCR-FRQCXROJSA-N 1 0 351.491 1.131 20 70 FDIDRO Cc1c(NC(=O)C(=O)NCC2CC[NH+](C)CC2)cnn1-c1ccccc1F ZINC000161297177 525074975 /nfs/dbraw/zinc/07/49/75/525074975.db2.gz BHIRLALKPANPIG-UHFFFAOYSA-N 1 0 373.432 1.716 20 70 FDIDRO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000161368349 525094822 /nfs/dbraw/zinc/09/48/22/525094822.db2.gz OWOITVWXLAJBKL-VLIAUNLRSA-N 1 0 359.470 1.911 20 70 FDIDRO CNC(=O)COc1cccc(CC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000161412715 525102877 /nfs/dbraw/zinc/10/28/77/525102877.db2.gz MQANUGSOMOTMJF-UHFFFAOYSA-N 1 0 361.486 1.736 20 70 FDIDRO CNC(=O)COc1cccc(CC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000161408825 525103536 /nfs/dbraw/zinc/10/35/36/525103536.db2.gz XEEGNUYXTIZVCD-UHFFFAOYSA-N 1 0 361.486 1.735 20 70 FDIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000161418475 525104148 /nfs/dbraw/zinc/10/41/48/525104148.db2.gz KOIMBYGTLUUWAV-UHFFFAOYSA-N 1 0 367.298 1.976 20 70 FDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000161426959 525107242 /nfs/dbraw/zinc/10/72/42/525107242.db2.gz TUFIXAPEKDRAIR-OAHLLOKOSA-N 1 0 366.527 1.889 20 70 FDIDRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000161444010 525110655 /nfs/dbraw/zinc/11/06/55/525110655.db2.gz ZRKDRDFLCTULQV-LBPRGKRZSA-N 1 0 362.442 1.678 20 70 FDIDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(S(=O)(=O)F)ccn2)C1 ZINC001164734887 720535027 /nfs/dbraw/zinc/53/50/27/720535027.db2.gz LAMMOXDKOOJHKG-GFCCVEGCSA-N 1 0 353.423 1.134 20 70 FDIDRO Cc1c(C(=O)N2CCC[C@@H]2C[NH3+])nnn1-c1cccc(Br)c1 ZINC000160175072 173701683 /nfs/dbraw/zinc/70/16/83/173701683.db2.gz ZEDYGMLJWLRWGA-CYBMUJFWSA-N 1 0 364.247 1.902 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C[NH3+])CC2)cc1 ZINC000160232648 173703658 /nfs/dbraw/zinc/70/36/58/173703658.db2.gz RAEXVTTYFDLMEU-INIZCTEOSA-N 1 0 365.499 1.345 20 70 FDIDRO COCc1nc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000160494590 173714014 /nfs/dbraw/zinc/71/40/14/173714014.db2.gz OILSWMIENAUIBB-CABCVRRESA-N 1 0 353.488 1.787 20 70 FDIDRO CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161122704 173730881 /nfs/dbraw/zinc/73/08/81/173730881.db2.gz GAPBJFIFOAXNJK-BBWFWOEESA-N 1 0 353.507 1.944 20 70 FDIDRO Cc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1F ZINC000161424886 173740653 /nfs/dbraw/zinc/74/06/53/173740653.db2.gz VIDHCNUXWLKAAA-AWEZNQCLSA-N 1 0 358.479 1.847 20 70 FDIDRO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159416997 524665583 /nfs/dbraw/zinc/66/55/83/524665583.db2.gz VPTSTJIKYWDAHP-QFBILLFUSA-N 1 0 372.513 1.448 20 70 FDIDRO COc1ccc(F)c(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000159428379 524668637 /nfs/dbraw/zinc/66/86/37/524668637.db2.gz LJPJTGQBPCOZQN-ZDUSSCGKSA-N 1 0 351.422 1.867 20 70 FDIDRO OCC[NH2+]C1CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000159439553 524669397 /nfs/dbraw/zinc/66/93/97/524669397.db2.gz ZDLMFOVKIMOVDF-UHFFFAOYSA-N 1 0 351.248 1.943 20 70 FDIDRO COc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1F ZINC000159442038 524670104 /nfs/dbraw/zinc/67/01/04/524670104.db2.gz GDXSJOMCSURWBK-CYBMUJFWSA-N 1 0 351.422 1.867 20 70 FDIDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc4c([nH]c3=O)CCCCC4)CC2)CCO1 ZINC000159541391 524693672 /nfs/dbraw/zinc/69/36/72/524693672.db2.gz DLHQNNNILKBUMO-OAHLLOKOSA-N 1 0 373.497 1.969 20 70 FDIDRO Cc1cc(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)n(-c2nc(C)cc(C)n2)n1 ZINC000159551806 524695548 /nfs/dbraw/zinc/69/55/48/524695548.db2.gz HFPGXYYVUITTBL-HOTGVXAUSA-N 1 0 372.473 1.619 20 70 FDIDRO COc1ccccc1N1CC[C@H](NC(=O)N(CC[NH+](C)C)C(C)C)C1=O ZINC000159600080 524706609 /nfs/dbraw/zinc/70/66/09/524706609.db2.gz BUHJSIHKTHWFJL-HNNXBMFYSA-N 1 0 362.474 1.782 20 70 FDIDRO Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1-n1cnnn1 ZINC000159612904 524709216 /nfs/dbraw/zinc/70/92/16/524709216.db2.gz KYUIPCUCOBZLMV-HOCLYGCPSA-N 1 0 355.446 1.919 20 70 FDIDRO Cc1c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cnn1C ZINC000159619968 524710995 /nfs/dbraw/zinc/71/09/95/524710995.db2.gz CMNAKODGFBMPOF-UHFFFAOYSA-N 1 0 364.471 1.039 20 70 FDIDRO CC(=O)c1ccc(S(=O)(=O)CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1F ZINC000159678067 524718738 /nfs/dbraw/zinc/71/87/38/524718738.db2.gz ALRRQGZXDUBMRG-BETUJISGSA-N 1 0 368.430 1.155 20 70 FDIDRO CC[NH+]1CCN(CCCNC(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1 ZINC000159809712 524743124 /nfs/dbraw/zinc/74/31/24/524743124.db2.gz VBMJCNFLQQFNDY-UHFFFAOYSA-N 1 0 360.433 1.425 20 70 FDIDRO CC(C)N(CC[NH+](C)C)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000159819427 524745978 /nfs/dbraw/zinc/74/59/78/524745978.db2.gz QQDNCIVSBXVQHO-UHFFFAOYSA-N 1 0 362.521 1.008 20 70 FDIDRO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159839126 524748155 /nfs/dbraw/zinc/74/81/55/524748155.db2.gz SYONARGSMBTXBU-JYJNAYRXSA-N 1 0 363.458 1.045 20 70 FDIDRO O=C(Cc1cccc2ccccc21)NCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159853127 524752877 /nfs/dbraw/zinc/75/28/77/524752877.db2.gz PSLBIZISSYJDTR-HDICACEKSA-N 1 0 351.450 1.851 20 70 FDIDRO CC[C@@H](C(=O)NCCNC(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000159854258 524753243 /nfs/dbraw/zinc/75/32/43/524753243.db2.gz VUDGSJUHGJIYKF-ZDUSSCGKSA-N 1 0 356.264 1.635 20 70 FDIDRO COC(=O)Cn1cc(CCN2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nn1 ZINC000159875163 524757175 /nfs/dbraw/zinc/75/71/75/524757175.db2.gz LNJAXQICGRBGMV-UHFFFAOYSA-N 1 0 371.485 1.590 20 70 FDIDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)cc1 ZINC000159868139 524757512 /nfs/dbraw/zinc/75/75/12/524757512.db2.gz DZLCQOCGOJCZCR-STQMWFEESA-N 1 0 371.441 1.501 20 70 FDIDRO CC(C)[NH+](CCCNC(=O)N1CC[C@@H](S(=O)(=O)NC2CC2)C1)C(C)C ZINC000159945163 524773121 /nfs/dbraw/zinc/77/31/21/524773121.db2.gz CHBOBCQFPORAOW-MRXNPFEDSA-N 1 0 374.551 1.361 20 70 FDIDRO C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000159963435 524777706 /nfs/dbraw/zinc/77/77/06/524777706.db2.gz SHXSCQZQCCSQOY-KXBFYZLASA-N 1 0 373.497 1.617 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000159969550 524778140 /nfs/dbraw/zinc/77/81/40/524778140.db2.gz SCOXKPSEYJBXOA-HNNXBMFYSA-N 1 0 366.412 1.807 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)CC1 ZINC000159974177 524781079 /nfs/dbraw/zinc/78/10/79/524781079.db2.gz DQKBNRKGKMRMKB-OAHLLOKOSA-N 1 0 360.458 1.538 20 70 FDIDRO CC(C)([NH3+])CNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000159989989 524785499 /nfs/dbraw/zinc/78/54/99/524785499.db2.gz RIOKZOFZNQGLIR-UHFFFAOYSA-N 1 0 373.478 1.905 20 70 FDIDRO CC(C)([NH3+])CNC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000160049091 524797103 /nfs/dbraw/zinc/79/71/03/524797103.db2.gz RKLKDFFCNTWXJM-UHFFFAOYSA-N 1 0 367.240 1.459 20 70 FDIDRO O=C(NCC1CC1)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160124398 524813865 /nfs/dbraw/zinc/81/38/65/524813865.db2.gz PSLFLKGJUVANJD-KRWDZBQOSA-N 1 0 367.453 1.795 20 70 FDIDRO COc1ccc(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1OC ZINC000160133103 524816901 /nfs/dbraw/zinc/81/69/01/524816901.db2.gz OJAQEHSUWSTJSV-INIZCTEOSA-N 1 0 350.459 1.599 20 70 FDIDRO C[C@@H](CNC(=O)CCN1c2ccccc2CCC1=O)N1CC[NH+](C)CC1 ZINC000160154856 524819654 /nfs/dbraw/zinc/81/96/54/524819654.db2.gz BYHQWKNRRVYRLL-INIZCTEOSA-N 1 0 358.486 1.108 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc2c1OCCO2 ZINC000160158432 524820218 /nfs/dbraw/zinc/82/02/18/524820218.db2.gz RDEMAZCMLNHUHT-IRXDYDNUSA-N 1 0 360.454 1.956 20 70 FDIDRO CNC(=O)[C@H]1CCCN1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000160188558 524827289 /nfs/dbraw/zinc/82/72/89/524827289.db2.gz VOMANLDZXAQFMG-RHSMWYFYSA-N 1 0 359.474 1.527 20 70 FDIDRO C[NH+](C)[C@@H](CNC(=O)CN1CCCN(CC(F)F)CC1)c1ccccc1 ZINC000160191535 524829713 /nfs/dbraw/zinc/82/97/13/524829713.db2.gz LARDNNYSWQPEFF-KRWDZBQOSA-N 1 0 368.472 1.678 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1(c2ccc(F)cc2)CCOCC1 ZINC000160237800 524839062 /nfs/dbraw/zinc/83/90/62/524839062.db2.gz AANWEYOOVHORIQ-GOSISDBHSA-N 1 0 364.461 1.837 20 70 FDIDRO O=C(NCCn1cccc1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000160248805 524840377 /nfs/dbraw/zinc/84/03/77/524840377.db2.gz CMHAUWHUOVKJJU-UHFFFAOYSA-N 1 0 354.454 1.881 20 70 FDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000160295563 524852519 /nfs/dbraw/zinc/85/25/19/524852519.db2.gz LKCDRYNKJPFVEK-MRXNPFEDSA-N 1 0 370.519 1.633 20 70 FDIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(Cc2ccccn2)CC1 ZINC000160329042 524858463 /nfs/dbraw/zinc/85/84/63/524858463.db2.gz SXWXISQNBMPWED-GOSISDBHSA-N 1 0 357.502 1.926 20 70 FDIDRO CC(C)Oc1cncc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000160368516 524869155 /nfs/dbraw/zinc/86/91/55/524869155.db2.gz PKNUIPIOMCSZGH-QGZVFWFLSA-N 1 0 362.474 1.541 20 70 FDIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000160428022 524886758 /nfs/dbraw/zinc/88/67/58/524886758.db2.gz IUDVERXCBCTGJW-AWEZNQCLSA-N 1 0 373.457 1.823 20 70 FDIDRO COCCN1CCN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000160450498 524891398 /nfs/dbraw/zinc/89/13/98/524891398.db2.gz PTCKMXAZCOVFQG-UHFFFAOYSA-N 1 0 350.369 1.759 20 70 FDIDRO COc1ccc(CN2C[C@H](C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2=O)cc1 ZINC000160456892 524893843 /nfs/dbraw/zinc/89/38/43/524893843.db2.gz SEGPHIDJLMBGMV-ZACQAIPSSA-N 1 0 357.454 1.397 20 70 FDIDRO CC(C)C[C@H](CNC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)[NH+](C)C ZINC000160452974 524894400 /nfs/dbraw/zinc/89/44/00/524894400.db2.gz NDYDUXALDJULMZ-BEFAXECRSA-N 1 0 360.458 1.447 20 70 FDIDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2c(C)[nH]c(C(=O)OC)c2C)CC1 ZINC000160486516 524900310 /nfs/dbraw/zinc/90/03/10/524900310.db2.gz RRMYQRJODXDLSZ-ZDUSSCGKSA-N 1 0 364.490 1.422 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000160493183 524901817 /nfs/dbraw/zinc/90/18/17/524901817.db2.gz FMARFQUSZHYPJJ-LJQANCHMSA-N 1 0 358.442 1.014 20 70 FDIDRO CN1C(=O)C[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)[C@@H]1c1cccs1 ZINC000160503335 524904951 /nfs/dbraw/zinc/90/49/51/524904951.db2.gz LLQGLAPBKKXHBR-GRDNDAEWSA-N 1 0 365.499 1.231 20 70 FDIDRO Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160548643 524912855 /nfs/dbraw/zinc/91/28/55/524912855.db2.gz SKMJGHLTCJUMQO-UHFFFAOYSA-N 1 0 359.474 1.755 20 70 FDIDRO Cn1nnc2cc(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)ccc21 ZINC000160556830 524915346 /nfs/dbraw/zinc/91/53/46/524915346.db2.gz KPQBTFGMUNMBNR-MSOLQXFVSA-N 1 0 357.458 1.466 20 70 FDIDRO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160571461 524919003 /nfs/dbraw/zinc/91/90/03/524919003.db2.gz LZFPOCGZOSUNCT-KBXCAEBGSA-N 1 0 359.470 1.715 20 70 FDIDRO CCOC(=O)c1c(C)oc2nc(CN3CC[NH+](CC4CC4)CC3)nc(N)c21 ZINC000160627974 524932737 /nfs/dbraw/zinc/93/27/37/524932737.db2.gz JOIHWFKAYPDBRQ-UHFFFAOYSA-N 1 0 373.457 1.818 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)C1 ZINC000160634608 524934301 /nfs/dbraw/zinc/93/43/01/524934301.db2.gz SIVDHLDQLMMMFJ-MRXNPFEDSA-N 1 0 365.499 1.650 20 70 FDIDRO COc1ccc(S[C@@H](C)C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160667510 524943451 /nfs/dbraw/zinc/94/34/51/524943451.db2.gz YALJBYDRURFZQG-AWEZNQCLSA-N 1 0 352.500 1.996 20 70 FDIDRO CN(C)c1ncc(CN(C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000160713846 524955623 /nfs/dbraw/zinc/95/56/23/524955623.db2.gz YNLPBVOORCBWDC-GOSISDBHSA-N 1 0 370.501 1.394 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)C1 ZINC000160797194 524973345 /nfs/dbraw/zinc/97/33/45/524973345.db2.gz NRKVZJPLJWJFLL-KRWDZBQOSA-N 1 0 359.470 1.514 20 70 FDIDRO COc1cc(Cl)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1OC ZINC000160819176 524977532 /nfs/dbraw/zinc/97/75/32/524977532.db2.gz CSZNLBZAFWXIKW-GFCCVEGCSA-N 1 0 356.850 1.934 20 70 FDIDRO Cn1ccnc1CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160813761 524977649 /nfs/dbraw/zinc/97/76/49/524977649.db2.gz JTSCVCGJPNCLGU-MRXNPFEDSA-N 1 0 360.506 1.264 20 70 FDIDRO COc1ccc(CCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(OC)c1 ZINC000160818911 524977708 /nfs/dbraw/zinc/97/77/08/524977708.db2.gz SAXDAZIZQMMHIS-QGZVFWFLSA-N 1 0 364.486 1.990 20 70 FDIDRO COC[C@H](NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000160858948 524983318 /nfs/dbraw/zinc/98/33/18/524983318.db2.gz QREVVQQSAVTTQT-INIZCTEOSA-N 1 0 368.522 1.337 20 70 FDIDRO CC(C)C(=O)N[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160848345 524983536 /nfs/dbraw/zinc/98/35/36/524983536.db2.gz NAXWMTMNHFVKQE-HOTGVXAUSA-N 1 0 350.507 1.950 20 70 FDIDRO COCCCNC(=O)[C@H](C)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160914483 524996624 /nfs/dbraw/zinc/99/66/24/524996624.db2.gz MFKLJQCAODHDBX-SFHVURJKSA-N 1 0 354.539 1.021 20 70 FDIDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(OC)c(N)c2)CC1=O ZINC000161053203 525024596 /nfs/dbraw/zinc/02/45/96/525024596.db2.gz DNACZRXWJQFKHP-UKRRQHHQSA-N 1 0 360.458 1.549 20 70 FDIDRO CCS(=O)(=O)NCc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000161074068 525027877 /nfs/dbraw/zinc/02/78/77/525027877.db2.gz MQHHQXXVTRLTAV-OAHLLOKOSA-N 1 0 367.515 1.588 20 70 FDIDRO COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000161124413 525039468 /nfs/dbraw/zinc/03/94/68/525039468.db2.gz QGXXYOJNJLJIDQ-DZGCQCFKSA-N 1 0 362.478 1.576 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000161163787 525046087 /nfs/dbraw/zinc/04/60/87/525046087.db2.gz UEHTZJRHVUJFCG-LBPRGKRZSA-N 1 0 359.879 1.414 20 70 FDIDRO CCC(=O)N1CC[C@H](C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000161193063 525051886 /nfs/dbraw/zinc/05/18/86/525051886.db2.gz MFIXXPOKFWNOSC-KSZLIROESA-N 1 0 364.534 1.262 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C ZINC000161193506 525053076 /nfs/dbraw/zinc/05/30/76/525053076.db2.gz MTJGFLHQNKUDEP-AWEZNQCLSA-N 1 0 368.503 1.024 20 70 FDIDRO CN(C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000161214648 525056004 /nfs/dbraw/zinc/05/60/04/525056004.db2.gz LYWDCXBPMDFMDN-MRXNPFEDSA-N 1 0 367.515 1.092 20 70 FDIDRO CC[N@H+](CCNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C)C1CC1 ZINC000161261020 525069241 /nfs/dbraw/zinc/06/92/41/525069241.db2.gz MVDRNUVFONLCDC-UHFFFAOYSA-N 1 0 373.432 1.859 20 70 FDIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000161282544 525071625 /nfs/dbraw/zinc/07/16/25/525071625.db2.gz XCNLTKRHOUIGRQ-UHFFFAOYSA-N 1 0 352.523 1.345 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 ZINC000161375322 525095957 /nfs/dbraw/zinc/09/59/57/525095957.db2.gz XLSUHFRNQWTJDC-GOSISDBHSA-N 1 0 373.497 1.905 20 70 FDIDRO O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N[C@H]1CCN(c2ccccn2)C1 ZINC000161392068 525099166 /nfs/dbraw/zinc/09/91/66/525099166.db2.gz DVVOBARTAMJIMS-HNNXBMFYSA-N 1 0 365.437 1.969 20 70 FDIDRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000161455889 525112658 /nfs/dbraw/zinc/11/26/58/525112658.db2.gz IPJUFBQEVWPCOC-LBPRGKRZSA-N 1 0 362.442 1.678 20 70 FDIDRO Cc1nc(-c2ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc2)co1 ZINC000161458782 525112674 /nfs/dbraw/zinc/11/26/74/525112674.db2.gz FIODAHDWESLDMA-INIZCTEOSA-N 1 0 353.444 1.241 20 70 FDIDRO CC(C)N1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000217289089 178270028 /nfs/dbraw/zinc/27/00/28/178270028.db2.gz SNGQKQXSFUXXMT-SFHVURJKSA-N 1 0 358.486 1.960 20 70 FDIDRO Cc1noc(CN2CC[NH+](CC3CCN(C(=O)C(C)(C)C)CC3)CC2)n1 ZINC000159759922 258263384 /nfs/dbraw/zinc/26/33/84/258263384.db2.gz ODKRVRFPYBSTHB-UHFFFAOYSA-N 1 0 363.506 1.780 20 70 FDIDRO C[N@@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)C[C@@H]1CCC[C@@H]1O ZINC000159707842 173685737 /nfs/dbraw/zinc/68/57/37/173685737.db2.gz ISYIGKKEOXCAJL-WMZOPIPTSA-N 1 0 359.470 1.288 20 70 FDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000160133893 173699350 /nfs/dbraw/zinc/69/93/50/173699350.db2.gz CASBHFDVNOOZJC-HNNXBMFYSA-N 1 0 351.472 1.471 20 70 FDIDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc([S@](C)=O)cc1 ZINC000160407901 173710764 /nfs/dbraw/zinc/71/07/64/173710764.db2.gz OZBHJNVJCRRWNH-JBEBIEQOSA-N 1 0 351.516 1.627 20 70 FDIDRO CCC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[NH+](C)C ZINC000161097892 173730300 /nfs/dbraw/zinc/73/03/00/173730300.db2.gz VYMMAFNCPZEYAI-QGZVFWFLSA-N 1 0 367.515 1.558 20 70 FDIDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2ccnn2C[C@@H]2CCOC2)C[C@@H](C)O1 ZINC000159369176 524652847 /nfs/dbraw/zinc/65/28/47/524652847.db2.gz NUHONXZWUAZUJT-OAGGEKHMSA-N 1 0 365.478 1.540 20 70 FDIDRO CCc1nc(CC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cs1 ZINC000159370356 524653418 /nfs/dbraw/zinc/65/34/18/524653418.db2.gz VCFUGUIFTXBTJP-QGZVFWFLSA-N 1 0 359.495 1.783 20 70 FDIDRO O=C(c1cc(F)c(F)cc1I)N1CC[NH2+]CC1 ZINC000159365173 524654069 /nfs/dbraw/zinc/65/40/69/524654069.db2.gz OJOCLGKJPRXSLG-UHFFFAOYSA-N 1 0 352.122 1.615 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 ZINC000159391235 524660675 /nfs/dbraw/zinc/66/06/75/524660675.db2.gz MHYVFFAORXGLAM-OAHLLOKOSA-N 1 0 374.485 1.421 20 70 FDIDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CC[NH2+]CC1 ZINC000159417375 524665762 /nfs/dbraw/zinc/66/57/62/524665762.db2.gz MPRDFMRTCYTYHF-HNNXBMFYSA-N 1 0 365.499 1.604 20 70 FDIDRO C[N@H+](CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)Cc1ccccc1 ZINC000159431836 524668349 /nfs/dbraw/zinc/66/83/49/524668349.db2.gz ZDIDMJNJUFMSED-OAHLLOKOSA-N 1 0 355.504 1.199 20 70 FDIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159439762 524669640 /nfs/dbraw/zinc/66/96/40/524669640.db2.gz NTJHRQRSALOFAC-RYUDHWBXSA-N 1 0 373.423 1.286 20 70 FDIDRO Cc1cnn(CCCCC[NH+]2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c1 ZINC000159461008 524676048 /nfs/dbraw/zinc/67/60/48/524676048.db2.gz HIOYDOCWHBHFSO-UHFFFAOYSA-N 1 0 357.458 1.508 20 70 FDIDRO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000159469538 524679726 /nfs/dbraw/zinc/67/97/26/524679726.db2.gz FHQWZYDNSVOLED-INIZCTEOSA-N 1 0 374.485 1.702 20 70 FDIDRO COc1cc([C@@H](C)[NH2+]CCCN2CCCC2=O)ccc1S(C)(=O)=O ZINC000159518790 524689651 /nfs/dbraw/zinc/68/96/51/524689651.db2.gz IRCKDVPOIHWYHI-CYBMUJFWSA-N 1 0 354.472 1.762 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)C1 ZINC000159567672 524696645 /nfs/dbraw/zinc/69/66/45/524696645.db2.gz GPEWMIQMXDKJNI-JLTOFOAXSA-N 1 0 372.469 1.449 20 70 FDIDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159598150 524705249 /nfs/dbraw/zinc/70/52/49/524705249.db2.gz VYAWLFCIUFPNGU-SWLSCSKDSA-N 1 0 350.463 1.537 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000159641239 524713797 /nfs/dbraw/zinc/71/37/97/524713797.db2.gz UPNJMYWHHYAGKH-LJQANCHMSA-N 1 0 360.502 1.797 20 70 FDIDRO C[C@H](CNC(=O)N1CCC(C2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000159671803 524718597 /nfs/dbraw/zinc/71/85/97/524718597.db2.gz FLWQYFFXDVMJCM-QGZVFWFLSA-N 1 0 366.550 1.718 20 70 FDIDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000159711110 524724179 /nfs/dbraw/zinc/72/41/79/524724179.db2.gz YPFUVCOPEKVUAY-ZDUSSCGKSA-N 1 0 357.476 1.524 20 70 FDIDRO O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159799866 524740940 /nfs/dbraw/zinc/74/09/40/524740940.db2.gz GBDJIVRLYAVADO-UHFFFAOYSA-N 1 0 370.453 1.071 20 70 FDIDRO Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCC([NH2+]CC3CC3)CC1)C2=O ZINC000159796482 524741092 /nfs/dbraw/zinc/74/10/92/524741092.db2.gz BKCTZMAIGZRBRV-CQSZACIVSA-N 1 0 369.465 1.970 20 70 FDIDRO C[NH+](C)CCCC1CCN(C(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000159812535 524743425 /nfs/dbraw/zinc/74/34/25/524743425.db2.gz RLGBHJKZKIPAAE-UHFFFAOYSA-N 1 0 354.539 1.861 20 70 FDIDRO C[N@@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@H]1CCC[C@@H]1O ZINC000159831057 524749901 /nfs/dbraw/zinc/74/99/01/524749901.db2.gz OGIVMIGEDOAPOW-YXYZJKKLSA-N 1 0 363.502 1.874 20 70 FDIDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(-n4ccnn4)cc3)C2=O)n(C)n1 ZINC000159864957 524755623 /nfs/dbraw/zinc/75/56/23/524755623.db2.gz JHUXLQGLOIDWRB-RHSMWYFYSA-N 1 0 365.441 1.765 20 70 FDIDRO O=C(CCS(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)OCc1ccccc1 ZINC000159863058 524756404 /nfs/dbraw/zinc/75/64/04/524756404.db2.gz KMZARDZMWPDRTJ-MRXNPFEDSA-N 1 0 366.483 1.524 20 70 FDIDRO COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000159924942 524768795 /nfs/dbraw/zinc/76/87/95/524768795.db2.gz RAEDSUROVQYKRV-OAHLLOKOSA-N 1 0 358.442 1.662 20 70 FDIDRO CCc1c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)[nH]c(C)c1C(N)=O ZINC000159935323 524770528 /nfs/dbraw/zinc/77/05/28/524770528.db2.gz ZOVOZXONHRTSFE-HNNXBMFYSA-N 1 0 356.470 1.887 20 70 FDIDRO COc1ccc(C(=O)N2CCC([NH2+]C3CCN(C)CC3)CC2)c(OC)c1 ZINC000159984979 524783002 /nfs/dbraw/zinc/78/30/02/524783002.db2.gz LVOZSDNJLHQROU-UHFFFAOYSA-N 1 0 361.486 1.992 20 70 FDIDRO CN(C)C(=O)CN1CCCN(C(=O)Cc2c[nH]c3cc(F)ccc23)CC1 ZINC000160032313 524793169 /nfs/dbraw/zinc/79/31/69/524793169.db2.gz ZLGKXVRPMYWGGK-UHFFFAOYSA-N 1 0 360.433 1.472 20 70 FDIDRO COCCN1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160041323 524793529 /nfs/dbraw/zinc/79/35/29/524793529.db2.gz ITSKOWQQAWYBML-MJGOQNOKSA-N 1 0 360.502 1.623 20 70 FDIDRO O=C(NCCc1nnc(-c2ccccc2)o1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000160043773 524795493 /nfs/dbraw/zinc/79/54/93/524795493.db2.gz OIBSNRQDFFRYEP-MRXNPFEDSA-N 1 0 353.426 1.935 20 70 FDIDRO CC[NH+]1CCN([C@@H]2CCN([C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000160051666 524797118 /nfs/dbraw/zinc/79/71/18/524797118.db2.gz GHQHGOVHHPUSLQ-HUUCEWRRSA-N 1 0 362.440 1.252 20 70 FDIDRO O=C(CCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)NC1CCCC1 ZINC000160064974 524801127 /nfs/dbraw/zinc/80/11/27/524801127.db2.gz FCRRPTZYHPJNHA-ZWKOTPCHSA-N 1 0 365.518 1.710 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(CN2CCOCC2)c1 ZINC000160065692 524801259 /nfs/dbraw/zinc/80/12/59/524801259.db2.gz LKNHWRJANUPURV-LJQANCHMSA-N 1 0 361.486 1.095 20 70 FDIDRO CN(Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H](C[NH3+])C1CC1 ZINC000160083527 524805572 /nfs/dbraw/zinc/80/55/72/524805572.db2.gz SEVIZZQIRPRNGM-ZDUSSCGKSA-N 1 0 351.248 1.626 20 70 FDIDRO Cc1ccc(C(=O)NCCC[NH3+])cc1S(=O)(=O)NCc1ccccc1 ZINC000160096201 524807660 /nfs/dbraw/zinc/80/76/60/524807660.db2.gz XITBXHXFEPSEHK-UHFFFAOYSA-N 1 0 361.467 1.552 20 70 FDIDRO Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000160106790 524809116 /nfs/dbraw/zinc/80/91/16/524809116.db2.gz IJGXKUSYRRECTJ-UHFFFAOYSA-N 1 0 368.865 1.287 20 70 FDIDRO CS(=O)(=O)c1cc(Br)cc(C(=O)NCCC[NH3+])c1F ZINC000160104975 524809447 /nfs/dbraw/zinc/80/94/47/524809447.db2.gz ZMOMUFJFYQYLLN-UHFFFAOYSA-N 1 0 353.213 1.070 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000160184197 524827131 /nfs/dbraw/zinc/82/71/31/524827131.db2.gz UFWXUITVOZFWCW-UHFFFAOYSA-N 1 0 374.441 1.741 20 70 FDIDRO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000160223449 524834156 /nfs/dbraw/zinc/83/41/56/524834156.db2.gz KVGVUKDHAXBDLG-NVXWUHKLSA-N 1 0 361.490 1.544 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000160241709 524839221 /nfs/dbraw/zinc/83/92/21/524839221.db2.gz NXQLGHACMOXFEN-HNNXBMFYSA-N 1 0 358.442 1.773 20 70 FDIDRO C[NH+](C)CCCC1CCN(C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000160291548 524850221 /nfs/dbraw/zinc/85/02/21/524850221.db2.gz VYWQAPGJRVKUCZ-UHFFFAOYSA-N 1 0 361.490 1.575 20 70 FDIDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c1 ZINC000160298099 524852464 /nfs/dbraw/zinc/85/24/64/524852464.db2.gz BIPVBMPOWOUUEX-OCCSQVGLSA-N 1 0 373.457 1.925 20 70 FDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC000160311429 524856538 /nfs/dbraw/zinc/85/65/38/524856538.db2.gz JBTFQJVGTVVZLA-OAHLLOKOSA-N 1 0 364.405 1.441 20 70 FDIDRO CCCOc1ccc(OCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160338086 524859465 /nfs/dbraw/zinc/85/94/65/524859465.db2.gz JLSVDBLAHLVHNK-INIZCTEOSA-N 1 0 350.459 1.817 20 70 FDIDRO CN1C(=O)C[C@H](C(=O)NCC2([NH+](C)C)CCOCC2)[C@@H]1c1cccs1 ZINC000160335284 524860185 /nfs/dbraw/zinc/86/01/85/524860185.db2.gz JKKXWUCTPKMCLW-XJKSGUPXSA-N 1 0 365.499 1.495 20 70 FDIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000160384723 524874650 /nfs/dbraw/zinc/87/46/50/524874650.db2.gz OZPDIXBCRXOBAI-NSHDSACASA-N 1 0 355.236 1.383 20 70 FDIDRO COC(=O)Cn1cc(CC[N@H+](C)CCOc2cccc(Cl)c2)nn1 ZINC000160386147 524876413 /nfs/dbraw/zinc/87/64/13/524876413.db2.gz CCDOOGVGKCJMMO-UHFFFAOYSA-N 1 0 352.822 1.658 20 70 FDIDRO C[C@H]1C[C@@H](NC(=O)N(C)CCN2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000160402529 524881464 /nfs/dbraw/zinc/88/14/64/524881464.db2.gz CXVJNFHBEAIYKM-PKOBYXMFSA-N 1 0 360.502 1.623 20 70 FDIDRO CN(C[C@H]1CCC[C@@H]1O)C(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000160412195 524883547 /nfs/dbraw/zinc/88/35/47/524883547.db2.gz LSTRHFSXQMDTCT-MJGOQNOKSA-N 1 0 360.502 1.891 20 70 FDIDRO O=C(Cc1csc(-c2ccccn2)n1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160426745 524885261 /nfs/dbraw/zinc/88/52/61/524885261.db2.gz RCQMTDMAPZJRTK-OAHLLOKOSA-N 1 0 360.483 1.711 20 70 FDIDRO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N(C)C1CCCCC1 ZINC000160450356 524891084 /nfs/dbraw/zinc/89/10/84/524891084.db2.gz BCNHMEIPLCZCDA-UHFFFAOYSA-N 1 0 360.458 1.956 20 70 FDIDRO CNC(=O)CN1CCC(NC(=O)N[C@H](C)C[C@@H](O)c2ccccc2)CC1 ZINC000160447931 524891831 /nfs/dbraw/zinc/89/18/31/524891831.db2.gz BUGJSBIBMMGEKZ-RHSMWYFYSA-N 1 0 362.474 1.008 20 70 FDIDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c2cnn(C)c2n1 ZINC000160464761 524895351 /nfs/dbraw/zinc/89/53/51/524895351.db2.gz BKKLBKAAEKUJNO-MSOLQXFVSA-N 1 0 371.485 1.774 20 70 FDIDRO C[NH+](C)CCn1nnnc1S[C@H]1CCCN(c2ccccc2F)C1=O ZINC000160482452 524900500 /nfs/dbraw/zinc/90/05/00/524900500.db2.gz JHPINVZQZLBEJL-AWEZNQCLSA-N 1 0 364.450 1.662 20 70 FDIDRO CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160513148 524907187 /nfs/dbraw/zinc/90/71/87/524907187.db2.gz NYMCKXYHOLGPKC-ZACQAIPSSA-N 1 0 368.522 1.170 20 70 FDIDRO COc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1OC(F)F ZINC000160549283 524914725 /nfs/dbraw/zinc/91/47/25/524914725.db2.gz JEMKJMGMXSSLAM-LBPRGKRZSA-N 1 0 358.385 1.873 20 70 FDIDRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160549170 524915247 /nfs/dbraw/zinc/91/52/47/524915247.db2.gz WGLDGJNRKBNWOY-GFCCVEGCSA-N 1 0 359.517 1.554 20 70 FDIDRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCc3nc(COC)nn3C2)CC1 ZINC000160575814 524920969 /nfs/dbraw/zinc/92/09/69/524920969.db2.gz YVZJEQYBSAMOST-CQSZACIVSA-N 1 0 364.494 1.255 20 70 FDIDRO Cc1nc(N2CCOCC2)ccc1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000160586411 524921763 /nfs/dbraw/zinc/92/17/63/524921763.db2.gz OQZLYJVJYRGORA-AWEZNQCLSA-N 1 0 350.488 1.602 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000160660923 524939979 /nfs/dbraw/zinc/93/99/79/524939979.db2.gz ACUUHRIQGLGSKC-GVDBMIGSSA-N 1 0 360.454 1.524 20 70 FDIDRO COc1ccc(OCCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160674213 524944927 /nfs/dbraw/zinc/94/49/27/524944927.db2.gz DJQMKTFAMOHTTC-MRXNPFEDSA-N 1 0 350.459 1.817 20 70 FDIDRO O=C(CCc1cc2ccccc2[nH]c1=O)NCCCC[NH+]1CCOCC1 ZINC000160682073 524947096 /nfs/dbraw/zinc/94/70/96/524947096.db2.gz JQLYRKZHWDZNMJ-UHFFFAOYSA-N 1 0 357.454 1.689 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1COc2ccccc2O1 ZINC000160686656 524949589 /nfs/dbraw/zinc/94/95/89/524949589.db2.gz SKNCZCYDRSNRRK-GJYPPUQNSA-N 1 0 360.454 1.711 20 70 FDIDRO Cc1onc(-c2ccccn2)c1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000160865161 524986225 /nfs/dbraw/zinc/98/62/25/524986225.db2.gz RVCTYEDCCFBXAW-AWEZNQCLSA-N 1 0 371.441 1.362 20 70 FDIDRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCCCCC[C@@H]1[NH3+])CC2 ZINC000160880685 524987841 /nfs/dbraw/zinc/98/78/41/524987841.db2.gz TWXDHYSGLWESKV-HOTGVXAUSA-N 1 0 365.499 1.782 20 70 FDIDRO COCCCNC(=O)[C@@H](C)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160914588 524997262 /nfs/dbraw/zinc/99/72/62/524997262.db2.gz MFKLJQCAODHDBX-GOSISDBHSA-N 1 0 354.539 1.021 20 70 FDIDRO C[C@@H](NC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)C(C)(C)C[NH+](C)C ZINC000160923174 524997326 /nfs/dbraw/zinc/99/73/26/524997326.db2.gz GBPBPUZATWARMT-OLZOCXBDSA-N 1 0 371.507 1.341 20 70 FDIDRO CCO[C@H]1C[C@H](O)C12CCN(C(=O)Nc1ccn(CC[NH+](C)C)n1)CC2 ZINC000161088899 525031761 /nfs/dbraw/zinc/03/17/61/525031761.db2.gz DGMFGBFCDBPIKD-GJZGRUSLSA-N 1 0 365.478 1.229 20 70 FDIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000161098270 525032548 /nfs/dbraw/zinc/03/25/48/525032548.db2.gz ISDRGGBBLVMMPC-DOTOQJQBSA-N 1 0 372.473 1.738 20 70 FDIDRO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCCS2(=O)=O)c1 ZINC000161124126 525040049 /nfs/dbraw/zinc/04/00/49/525040049.db2.gz WZFYNWAJOLDCJG-KRWDZBQOSA-N 1 0 367.515 1.905 20 70 FDIDRO Cn1cc([C@]2(C)CN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CCO2)cn1 ZINC000161125166 525040337 /nfs/dbraw/zinc/04/03/37/525040337.db2.gz JURLRWXMEIENSQ-APWZRJJASA-N 1 0 361.490 1.694 20 70 FDIDRO O=C(C[C@@]1(C(=O)NCc2ccccc2)CC[NH2+]C1)NCc1ccccc1 ZINC000161161943 525044674 /nfs/dbraw/zinc/04/46/74/525044674.db2.gz JJHPDUSSFZHMEY-NRFANRHFSA-N 1 0 351.450 1.989 20 70 FDIDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000161199011 525051494 /nfs/dbraw/zinc/05/14/94/525051494.db2.gz ZZNLXULJSXLTQN-RBSFLKMASA-N 1 0 362.478 1.008 20 70 FDIDRO CNC(=O)COc1cccc(CC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000161203904 525055062 /nfs/dbraw/zinc/05/50/62/525055062.db2.gz BUYAHRBMSXOUOA-UHFFFAOYSA-N 1 0 361.486 1.592 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)co1 ZINC000161215992 525055663 /nfs/dbraw/zinc/05/56/63/525055663.db2.gz ARJYCEPXSBMNAC-CQSZACIVSA-N 1 0 357.476 1.428 20 70 FDIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@]2(O)CCSC2)CC1 ZINC000161229500 525060329 /nfs/dbraw/zinc/06/03/29/525060329.db2.gz WFWWPWWWXWKXBH-KDOFPFPSSA-N 1 0 364.515 1.774 20 70 FDIDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000161251934 525063967 /nfs/dbraw/zinc/06/39/67/525063967.db2.gz ZASAZNWNUBQEIJ-GASCZTMLSA-N 1 0 357.545 1.927 20 70 FDIDRO Cc1noc(C)c1S(=O)(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000161258619 525065864 /nfs/dbraw/zinc/06/58/64/525065864.db2.gz JGNHPNDGDKQSBS-ZIAGYGMSSA-N 1 0 370.519 1.471 20 70 FDIDRO C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC[NH2+]C1 ZINC000161289861 525073777 /nfs/dbraw/zinc/07/37/77/525073777.db2.gz DCEAEQDPAWQINQ-KBXCAEBGSA-N 1 0 367.396 1.899 20 70 FDIDRO Cc1cc(Cl)ccc1S(=O)(=O)N(CCOCCO)CC[NH+](C)C ZINC000161308103 525078751 /nfs/dbraw/zinc/07/87/51/525078751.db2.gz NIKGOJKGPQGOSW-UHFFFAOYSA-N 1 0 364.895 1.210 20 70 FDIDRO O=C(CN1CCC([C@H](O)C(F)(F)F)CC1)NC(=O)NCc1ccco1 ZINC000161312126 525079450 /nfs/dbraw/zinc/07/94/50/525079450.db2.gz DXEXXUZPRJATRA-ZDUSSCGKSA-N 1 0 363.336 1.241 20 70 FDIDRO C[C@H](Oc1cccc(CO)c1)C(=O)N1CCN(Cc2cccnc2)CC1 ZINC000161329467 525082169 /nfs/dbraw/zinc/08/21/69/525082169.db2.gz DJUWCYPQSGXTIW-INIZCTEOSA-N 1 0 355.438 1.686 20 70 FDIDRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C[NH2+]C)ccc1C ZINC000161343513 525084917 /nfs/dbraw/zinc/08/49/17/525084917.db2.gz KFFJRLOKAOMAGE-MRXNPFEDSA-N 1 0 367.515 1.850 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCc2cccc(OC)n2)CC[N@@H+]1CCOC ZINC000161361553 525088279 /nfs/dbraw/zinc/08/82/79/525088279.db2.gz NDIHPAZQGSZVPZ-INIZCTEOSA-N 1 0 350.463 1.733 20 70 FDIDRO COC(=O)[C@H](CNC(=O)[C@@H]1CCn2ccnc2C1)Cc1ccc(O)cc1 ZINC000161394186 525098839 /nfs/dbraw/zinc/09/88/39/525098839.db2.gz HCFZXAOBOCRYFM-CABCVRRESA-N 1 0 357.410 1.299 20 70 FDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC000161410869 525102940 /nfs/dbraw/zinc/10/29/40/525102940.db2.gz LMHODXWYEGQASL-NYCLONFESA-N 1 0 361.490 1.175 20 70 FDIDRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc3c(c2)CCO3)CC1 ZINC000161425313 525104277 /nfs/dbraw/zinc/10/42/77/525104277.db2.gz GUAQOZWBSNPOKX-AWEZNQCLSA-N 1 0 368.499 1.335 20 70 FDIDRO C[C@H]1Cc2cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc(Cl)c2O1 ZINC000161416812 525104378 /nfs/dbraw/zinc/10/43/78/525104378.db2.gz HSMZFIRHTNIXEF-ZUZCIYMTSA-N 1 0 362.879 1.254 20 70 FDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000161448584 525110827 /nfs/dbraw/zinc/11/08/27/525110827.db2.gz CDWCTHGXGAHLAJ-LBPRGKRZSA-N 1 0 374.812 1.950 20 70 FDIDRO Cc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1C(F)(F)F ZINC000161466017 525114812 /nfs/dbraw/zinc/11/48/12/525114812.db2.gz CSXOADBMAIFOAV-CYBMUJFWSA-N 1 0 354.394 1.605 20 70 FDIDRO CN(C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161492996 525117438 /nfs/dbraw/zinc/11/74/38/525117438.db2.gz XGIJBYVWWTXKEK-PBWFPOADSA-N 1 0 372.437 1.967 20 70 FDIDRO Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164932550 721889928 /nfs/dbraw/zinc/88/99/28/721889928.db2.gz JAPHYWZQMMQUPG-CABCVRRESA-N 1 0 356.467 1.263 20 70 FDIDRO O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000161155128 258263498 /nfs/dbraw/zinc/26/34/98/258263498.db2.gz VJJGCQYRLDJQBO-IRXDYDNUSA-N 1 0 360.506 1.891 20 70 FDIDRO COc1cccc(O[C@H](C)CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)c1 ZINC000161127430 258263588 /nfs/dbraw/zinc/26/35/88/258263588.db2.gz WGUHEWFFLRFGQL-CYBMUJFWSA-N 1 0 373.457 1.717 20 70 FDIDRO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000159439075 173677370 /nfs/dbraw/zinc/67/73/70/173677370.db2.gz VHGPHGXCASJTCM-CQSZACIVSA-N 1 0 360.458 1.127 20 70 FDIDRO CC(=O)N[C@H](CC(=O)NCC(C)(C)[NH3+])c1ccc(Br)cc1 ZINC000160087912 173697926 /nfs/dbraw/zinc/69/79/26/173697926.db2.gz ZVYAZNZDXQQSHD-CYBMUJFWSA-N 1 0 356.264 1.870 20 70 FDIDRO CCC[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000160405128 173710809 /nfs/dbraw/zinc/71/08/09/173710809.db2.gz WCSSDWZEERUFRM-UHFFFAOYSA-N 1 0 359.517 1.361 20 70 FDIDRO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000159363779 524650888 /nfs/dbraw/zinc/65/08/88/524650888.db2.gz ICGAJOONDSWEKT-CYBMUJFWSA-N 1 0 373.544 1.155 20 70 FDIDRO C[C@@H](CCNC(=O)NCC1(CO)CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000159371713 524653329 /nfs/dbraw/zinc/65/33/29/524653329.db2.gz JENLOODBSSEHMQ-KRWDZBQOSA-N 1 0 363.502 1.985 20 70 FDIDRO Cc1ccn2c(C[N@@H+]3CCCC[C@@H]3CCNS(C)(=O)=O)cnc2c1 ZINC000159406701 524662224 /nfs/dbraw/zinc/66/22/24/524662224.db2.gz YZLZEGVCPWDRJK-OAHLLOKOSA-N 1 0 350.488 1.937 20 70 FDIDRO CCC(CC)[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)N1CCOCC1 ZINC000159581232 524702087 /nfs/dbraw/zinc/70/20/87/524702087.db2.gz WABKMROTSVOOCS-SJORKVTESA-N 1 0 357.564 1.677 20 70 FDIDRO C[N@H+](CCC(=O)Nc1cccc(Br)c1)CC(C)(CO)CO ZINC000159588137 524703734 /nfs/dbraw/zinc/70/37/34/524703734.db2.gz KKNCUEZEKFADEH-UHFFFAOYSA-N 1 0 359.264 1.700 20 70 FDIDRO CN(C[C@H](O)COCc1ccccc1)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000159738282 524728683 /nfs/dbraw/zinc/72/86/83/524728683.db2.gz TVHBUZSSTDIJAH-HNNXBMFYSA-N 1 0 354.414 1.258 20 70 FDIDRO CC[C@@H](CO)[NH+]1CCN([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000159742308 524730883 /nfs/dbraw/zinc/73/08/83/524730883.db2.gz KMLNFNMETTZKME-LSDHHAIUSA-N 1 0 370.291 1.364 20 70 FDIDRO CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159812329 524743493 /nfs/dbraw/zinc/74/34/93/524743493.db2.gz ACIVIEVPQBYTTK-GASCZTMLSA-N 1 0 365.499 1.730 20 70 FDIDRO COc1ccc(C)cc1N1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1=O ZINC000159814706 524744446 /nfs/dbraw/zinc/74/44/46/524744446.db2.gz OYMNWMPZOUJZOW-HRCADAONSA-N 1 0 357.454 1.709 20 70 FDIDRO COc1cccc(CCC[NH+]2CCN(c3ncccc3C(N)=O)CC2)c1 ZINC000159817659 524745258 /nfs/dbraw/zinc/74/52/58/524745258.db2.gz PNIBVMSIWSSXEX-UHFFFAOYSA-N 1 0 354.454 1.944 20 70 FDIDRO Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159857842 524756434 /nfs/dbraw/zinc/75/64/34/524756434.db2.gz XBEDLTPANQSBFP-UHFFFAOYSA-N 1 0 369.469 1.743 20 70 FDIDRO C[N@H+]([C@@H]1CCCN(c2cccnn2)C1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000159887913 524760049 /nfs/dbraw/zinc/76/00/49/524760049.db2.gz DSVRDVMHJLWZPM-ZIAGYGMSSA-N 1 0 371.407 1.931 20 70 FDIDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1CCCS1(=O)=O ZINC000159877009 524760532 /nfs/dbraw/zinc/76/05/32/524760532.db2.gz JBAWUZWNNAEMJI-QGZVFWFLSA-N 1 0 365.499 1.659 20 70 FDIDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159895291 524761686 /nfs/dbraw/zinc/76/16/86/524761686.db2.gz FYFQNVDPGZRQQL-CXAGYDPISA-N 1 0 351.414 1.457 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC2CCOCC2)cc1 ZINC000159910656 524767515 /nfs/dbraw/zinc/76/75/15/524767515.db2.gz SOJVVPRAEGWCAB-QGZVFWFLSA-N 1 0 362.470 1.821 20 70 FDIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CCN1CCOCC1 ZINC000159972354 524780629 /nfs/dbraw/zinc/78/06/29/524780629.db2.gz MNHPERSYLQIBLI-HKUYNNGSSA-N 1 0 360.502 1.481 20 70 FDIDRO CC(C)[C@@H](CNC(=O)c1coc(S(N)(=O)=O)c1)[NH+]1CCC(C)CC1 ZINC000160005234 524787043 /nfs/dbraw/zinc/78/70/43/524787043.db2.gz XJZJFPQEZUPOJK-CQSZACIVSA-N 1 0 357.476 1.413 20 70 FDIDRO CCC[C@H]1CN(C(=O)N[C@@H](C)c2nnc3ccccn32)CC[N@@H+]1CCOC ZINC000160026317 524792498 /nfs/dbraw/zinc/79/24/98/524792498.db2.gz MJGOWHVDBXUELF-HOTGVXAUSA-N 1 0 374.489 1.933 20 70 FDIDRO Cc1c(NC(=O)C(=O)NCC[NH+]2CCCCC2)cnn1-c1ccccc1F ZINC000160100712 524807303 /nfs/dbraw/zinc/80/73/03/524807303.db2.gz OTZMJFZGWYPGKB-UHFFFAOYSA-N 1 0 373.432 1.860 20 70 FDIDRO CC(C)[C@H](CNC(=O)NC[C@@H]1CCCS1(=O)=O)[NH+]1CCC(C)CC1 ZINC000160115932 524812502 /nfs/dbraw/zinc/81/25/02/524812502.db2.gz NBLIUSZXPQMGJA-HOTGVXAUSA-N 1 0 359.536 1.619 20 70 FDIDRO CC(C)[C@H](C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)[NH+](C)C ZINC000160128990 524817283 /nfs/dbraw/zinc/81/72/83/524817283.db2.gz RKPMEWITIJWMBD-ZIFCJYIRSA-N 1 0 366.550 1.221 20 70 FDIDRO COC(=O)c1ccccc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000160149126 524820793 /nfs/dbraw/zinc/82/07/93/524820793.db2.gz ZWUKVHREIMLQQO-UHFFFAOYSA-N 1 0 352.456 1.626 20 70 FDIDRO CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000160205941 524831658 /nfs/dbraw/zinc/83/16/58/524831658.db2.gz RHNOUSJESJZHGG-YESZJQIVSA-N 1 0 350.507 1.807 20 70 FDIDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000160223820 524835067 /nfs/dbraw/zinc/83/50/67/524835067.db2.gz KSLRNJVQIVRIHN-CVEARBPZSA-N 1 0 365.499 1.325 20 70 FDIDRO COCCc1noc(CN(C)C(=O)NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000160239209 524838889 /nfs/dbraw/zinc/83/88/89/524838889.db2.gz MYNDFAGWSPZWLH-UHFFFAOYSA-N 1 0 373.457 1.458 20 70 FDIDRO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160247453 524841794 /nfs/dbraw/zinc/84/17/94/524841794.db2.gz NYTSUGVKCZEWCR-AZUAARDMSA-N 1 0 371.481 1.914 20 70 FDIDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@](C)(O)C3)cn2)CC1 ZINC000160265346 524843687 /nfs/dbraw/zinc/84/36/87/524843687.db2.gz WAKYYNDQCADXAP-LJQANCHMSA-N 1 0 361.490 1.280 20 70 FDIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000160271113 524846353 /nfs/dbraw/zinc/84/63/53/524846353.db2.gz XQSIRUJNPSOTGZ-HUUCEWRRSA-N 1 0 351.472 1.037 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000160313882 524855302 /nfs/dbraw/zinc/85/53/02/524855302.db2.gz VPIBZWOFYKEPMZ-HKUYNNGSSA-N 1 0 362.470 1.821 20 70 FDIDRO COc1ccc(C(C)(C)C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1OC ZINC000160334397 524860910 /nfs/dbraw/zinc/86/09/10/524860910.db2.gz DVESUVJRQTUKTP-INIZCTEOSA-N 1 0 364.486 1.944 20 70 FDIDRO CC[NH+]1CCN(CCCNC(=O)c2ccc(C(=O)NC(C)C)cc2)CC1 ZINC000160363464 524868811 /nfs/dbraw/zinc/86/88/11/524868811.db2.gz QGSYEUKLTHQFOD-UHFFFAOYSA-N 1 0 360.502 1.582 20 70 FDIDRO O=C(Cc1ccccc1)NCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160381161 524874818 /nfs/dbraw/zinc/87/48/18/524874818.db2.gz JFPULFWTCPPAEG-OALUTQOASA-N 1 0 373.497 1.229 20 70 FDIDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(C(=O)COC)CC2)cc1)C(C)C ZINC000160393113 524877133 /nfs/dbraw/zinc/87/71/33/524877133.db2.gz RTDMHDJJOWRQRC-UHFFFAOYSA-N 1 0 361.486 1.848 20 70 FDIDRO CC(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160447286 524890769 /nfs/dbraw/zinc/89/07/69/524890769.db2.gz YJMKMVKNXMLSGO-CEXWTWQISA-N 1 0 373.497 1.385 20 70 FDIDRO CCS(=O)(=O)N1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000160444804 524891735 /nfs/dbraw/zinc/89/17/35/524891735.db2.gz CVGKLMFZRQPEHI-MRXNPFEDSA-N 1 0 359.536 1.285 20 70 FDIDRO Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)c(C)o1 ZINC000160450348 524892385 /nfs/dbraw/zinc/89/23/85/524892385.db2.gz DXCLPJZIUIDKON-HNNXBMFYSA-N 1 0 356.426 1.640 20 70 FDIDRO COC(=O)c1[nH]c(C)c(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1C ZINC000160482924 524899375 /nfs/dbraw/zinc/89/93/75/524899375.db2.gz VXVYICBBDGGIJP-UHFFFAOYSA-N 1 0 364.490 1.516 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000160555533 524914103 /nfs/dbraw/zinc/91/41/03/524914103.db2.gz BGIBFZGQUVXAGI-CQSZACIVSA-N 1 0 369.462 1.047 20 70 FDIDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160582669 524920281 /nfs/dbraw/zinc/92/02/81/524920281.db2.gz JDDNGLAJVANUNP-JTQLQIEISA-N 1 0 367.393 1.777 20 70 FDIDRO CCS(=O)(=O)NCc1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000160586963 524923067 /nfs/dbraw/zinc/92/30/67/524923067.db2.gz UCMCAHWOPXRXET-HNNXBMFYSA-N 1 0 367.515 1.588 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000160609643 524928677 /nfs/dbraw/zinc/92/86/77/524928677.db2.gz JIMVTQSCGPWVPY-GOSISDBHSA-N 1 0 355.438 1.822 20 70 FDIDRO Cc1sc(=O)n(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1C ZINC000160611760 524929734 /nfs/dbraw/zinc/92/97/34/524929734.db2.gz FKCQZDSOZDUJHO-JKSUJKDBSA-N 1 0 367.515 1.411 20 70 FDIDRO CC(=O)c1cccc(OCCCC(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160636699 524934759 /nfs/dbraw/zinc/93/47/59/524934759.db2.gz KAMQQISEAUSINX-UHFFFAOYSA-N 1 0 362.470 1.869 20 70 FDIDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ncn(-c2ccccc2)n1 ZINC000160668518 524942883 /nfs/dbraw/zinc/94/28/83/524942883.db2.gz NDRRXWKLYGEDPP-UHFFFAOYSA-N 1 0 350.426 1.866 20 70 FDIDRO CC(C)(C(=O)NCC1CC[NH+](CCO)CC1)c1ccc2c(c1)OCCO2 ZINC000160702154 524950596 /nfs/dbraw/zinc/95/05/96/524950596.db2.gz RRLLHPSPWFGSQE-UHFFFAOYSA-N 1 0 362.470 1.556 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000160699389 524951568 /nfs/dbraw/zinc/95/15/68/524951568.db2.gz SXWCFPCMHHSRHA-SFHVURJKSA-N 1 0 359.518 1.887 20 70 FDIDRO O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160705421 524953250 /nfs/dbraw/zinc/95/32/50/524953250.db2.gz SQANNJAHEHSUEB-ZIAGYGMSSA-N 1 0 369.412 1.488 20 70 FDIDRO CC(C)NS(=O)(=O)[C@@H]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000160720780 524955005 /nfs/dbraw/zinc/95/50/05/524955005.db2.gz QSKVXYVNBLOTNR-QGZVFWFLSA-N 1 0 357.495 1.660 20 70 FDIDRO CC(=O)NC1(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CCCCC1 ZINC000160725286 524957619 /nfs/dbraw/zinc/95/76/19/524957619.db2.gz RMYBTNPAAWEALK-OALUTQOASA-N 1 0 373.497 1.577 20 70 FDIDRO CCC[N@H+](CC)CCNC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000160793635 524972181 /nfs/dbraw/zinc/97/21/81/524972181.db2.gz LIPXVQAXESIQDO-ZDUSSCGKSA-N 1 0 357.480 1.096 20 70 FDIDRO CCOCCN1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160973936 525006964 /nfs/dbraw/zinc/00/69/64/525006964.db2.gz ZNUMVKNUSWGOBJ-GOSISDBHSA-N 1 0 354.539 1.861 20 70 FDIDRO C[C@H]1C[C@H](NS(=O)(=O)CCC(=O)OCc2ccccc2)C[N@@H+]1C1CC1 ZINC000161021680 525019613 /nfs/dbraw/zinc/01/96/13/525019613.db2.gz DCDNQKIHFRNRNC-HOCLYGCPSA-N 1 0 366.483 1.665 20 70 FDIDRO CC(C)[C@@H](C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)[NH+](C)C ZINC000161075930 525029030 /nfs/dbraw/zinc/02/90/30/525029030.db2.gz LMEYAPIVROPIMC-LIRRHRJNSA-N 1 0 374.485 1.795 20 70 FDIDRO C[C@@]1(c2cccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c2)NC(=O)NC1=O ZINC000161136318 525040899 /nfs/dbraw/zinc/04/08/99/525040899.db2.gz CRZMFGPMJDIMLC-FQEVSTJZSA-N 1 0 372.469 1.780 20 70 FDIDRO CC(=O)N[C@@H](CC(=O)NC[C@@H](C1CC1)[NH+](C)C)c1ccc(F)cc1F ZINC000161161333 525046438 /nfs/dbraw/zinc/04/64/38/525046438.db2.gz JKFVKWZXKRZXQA-IRXDYDNUSA-N 1 0 353.413 1.989 20 70 FDIDRO CC[NH+]1CCN(CC(=O)NC2(c3ccc(F)cc3F)CCOCC2)CC1 ZINC000161184809 525049813 /nfs/dbraw/zinc/04/98/13/525049813.db2.gz YDRPSSCVRXCEFQ-UHFFFAOYSA-N 1 0 367.440 1.724 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C ZINC000161193668 525052712 /nfs/dbraw/zinc/05/27/12/525052712.db2.gz MTJGFLHQNKUDEP-CQSZACIVSA-N 1 0 368.503 1.024 20 70 FDIDRO CNC(=O)[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000161219900 525059217 /nfs/dbraw/zinc/05/92/17/525059217.db2.gz XLGQNLJHIMMBBC-NVXWUHKLSA-N 1 0 373.501 1.775 20 70 FDIDRO COc1ccc([C@@H](NC(=O)[C@@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000161268934 525070906 /nfs/dbraw/zinc/07/09/06/525070906.db2.gz SRZDYZASEUHDHH-SJKOYZFVSA-N 1 0 362.451 1.652 20 70 FDIDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)[C@@H]1CC[NH2+]C1 ZINC000161292330 525075106 /nfs/dbraw/zinc/07/51/06/525075106.db2.gz IOLCMYJGEGRINW-BXUZGUMPSA-N 1 0 353.369 1.509 20 70 FDIDRO Cc1nn(C)c(=O)c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000161303064 525076676 /nfs/dbraw/zinc/07/66/76/525076676.db2.gz WEVSFUFTFUIWEZ-KRWDZBQOSA-N 1 0 354.454 1.964 20 70 FDIDRO C[C@H]1C[C@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C(=O)N1c1ccccc1 ZINC000161309572 525078526 /nfs/dbraw/zinc/07/85/26/525078526.db2.gz VFJSWCQPWLRYFB-BBRMVZONSA-N 1 0 368.441 1.126 20 70 FDIDRO Cc1cc(Cl)ncc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000161321209 525081152 /nfs/dbraw/zinc/08/11/52/525081152.db2.gz XQPXEQKCFRPZPN-ZDUSSCGKSA-N 1 0 350.850 1.926 20 70 FDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2nc(S(C)(=O)=O)n3ccccc23)C1 ZINC000161388751 525098980 /nfs/dbraw/zinc/09/89/80/525098980.db2.gz ACLBJOBOZKEPAB-OLZOCXBDSA-N 1 0 364.471 1.196 20 70 FDIDRO CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)C1 ZINC000161398805 525100552 /nfs/dbraw/zinc/10/05/52/525100552.db2.gz BXVWDOPDXUCVDW-QGZVFWFLSA-N 1 0 374.485 1.594 20 70 FDIDRO CCc1cccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000161430416 525106787 /nfs/dbraw/zinc/10/67/87/525106787.db2.gz WRAXGRPWVUGSTN-HNNXBMFYSA-N 1 0 354.516 1.962 20 70 FDIDRO Cc1ccc2cc(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)ccc2n1 ZINC000161425513 525107036 /nfs/dbraw/zinc/10/70/36/525107036.db2.gz JGYOKLSTJBAQHP-KRWDZBQOSA-N 1 0 354.454 1.860 20 70 FDIDRO CCC[C@H]1CN(C(=O)NCCNC(=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC000161441294 525108099 /nfs/dbraw/zinc/10/80/99/525108099.db2.gz PSDUODSIUVXMFL-HNNXBMFYSA-N 1 0 356.511 1.291 20 70 FDIDRO Cc1[nH]c(=O)ccc1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000161459977 525113983 /nfs/dbraw/zinc/11/39/83/525113983.db2.gz MIASALZOVUMLPG-UHFFFAOYSA-N 1 0 356.426 1.317 20 70 FDIDRO C[C@H]1C[C@H](NC(=O)N2CCC[C@H](CC(N)=O)C2)C[N@@H+]1Cc1ccccc1 ZINC000160282813 258263410 /nfs/dbraw/zinc/26/34/10/258263410.db2.gz BPEALIVXUDPBNJ-JQHSSLGASA-N 1 0 358.486 1.946 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CC3)C1 ZINC000159365795 173674303 /nfs/dbraw/zinc/67/43/03/173674303.db2.gz JGCWOAZJLJELPV-AWEZNQCLSA-N 1 0 372.469 1.604 20 70 FDIDRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159875494 173691632 /nfs/dbraw/zinc/69/16/32/173691632.db2.gz UYUXGAPFIVKWRS-QGZVFWFLSA-N 1 0 371.547 1.571 20 70 FDIDRO [NH3+]C[C@@H]1CCCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000160375518 173708774 /nfs/dbraw/zinc/70/87/74/173708774.db2.gz PEDFDZXMGGUHHK-NSHDSACASA-N 1 0 350.469 1.949 20 70 FDIDRO CC(C)C[C@@H](CNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)[NH+](C)C ZINC000160452616 173711957 /nfs/dbraw/zinc/71/19/57/173711957.db2.gz NDYDUXALDJULMZ-HNAYVOBHSA-N 1 0 360.458 1.447 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(-n2cnnn2)c1 ZINC000160728544 173720321 /nfs/dbraw/zinc/72/03/21/173720321.db2.gz JYAPGCCWPSHIJF-QZTJIDSGSA-N 1 0 370.457 1.160 20 70 FDIDRO C[N@H+](CCNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)Cc1ccccc1 ZINC000159431964 517926480 /nfs/dbraw/zinc/92/64/80/517926480.db2.gz ZDIDMJNJUFMSED-HNNXBMFYSA-N 1 0 355.504 1.199 20 70 FDIDRO Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159361591 524650814 /nfs/dbraw/zinc/65/08/14/524650814.db2.gz SHCMZTGUIGYEAI-GASCZTMLSA-N 1 0 353.426 1.036 20 70 FDIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000159376143 524655590 /nfs/dbraw/zinc/65/55/90/524655590.db2.gz FLZCRFWQWQXUIT-MRXNPFEDSA-N 1 0 355.442 1.651 20 70 FDIDRO O=C(c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)N1CC[NH2+]CC1 ZINC000159416033 524664286 /nfs/dbraw/zinc/66/42/86/524664286.db2.gz UNGQMLQIXJYWGZ-UHFFFAOYSA-N 1 0 352.391 1.000 20 70 FDIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159412856 524664504 /nfs/dbraw/zinc/66/45/04/524664504.db2.gz XGQPPRKADBXMPL-NEPJUHHUSA-N 1 0 374.407 1.760 20 70 FDIDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N(C)CCNS(C)(=O)=O ZINC000159448652 524672922 /nfs/dbraw/zinc/67/29/22/524672922.db2.gz XOWWTRZXDIRIHR-HOTGVXAUSA-N 1 0 353.532 1.624 20 70 FDIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCN1CCOCC1 ZINC000159460095 524674010 /nfs/dbraw/zinc/67/40/10/524674010.db2.gz MPWLVKXRXHXUFO-HKUYNNGSSA-N 1 0 360.502 1.528 20 70 FDIDRO CCS(=O)(=O)c1cccc(CC(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000159549359 524695120 /nfs/dbraw/zinc/69/51/20/524695120.db2.gz DIYAGCZQXYGSLU-UHFFFAOYSA-N 1 0 364.471 1.420 20 70 FDIDRO Cn1c2ccc(C(=O)N3CC[C@@H](OCC[NH+]4CCCCC4)C3)cc2[nH]c1=O ZINC000159575693 524700428 /nfs/dbraw/zinc/70/04/28/524700428.db2.gz KFRINODIVIDAKG-MRXNPFEDSA-N 1 0 372.469 1.584 20 70 FDIDRO CNC(=O)[C@H]1CCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000159631567 524711964 /nfs/dbraw/zinc/71/19/64/524711964.db2.gz UNUOUBBIFMKKEL-MRXNPFEDSA-N 1 0 366.506 1.189 20 70 FDIDRO [NH3+]C1(CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CCCCC1 ZINC000159694516 524723030 /nfs/dbraw/zinc/72/30/30/524723030.db2.gz VHTWIIPGTXODLQ-UHFFFAOYSA-N 1 0 373.906 1.786 20 70 FDIDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000159710982 524725538 /nfs/dbraw/zinc/72/55/38/524725538.db2.gz YPFUVCOPEKVUAY-CYBMUJFWSA-N 1 0 357.476 1.524 20 70 FDIDRO C[N@@H+](CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)C[C@@H]1CCC[C@@H]1O ZINC000159718519 524727927 /nfs/dbraw/zinc/72/79/27/524727927.db2.gz WBNULTZPIHKUHJ-WMZOPIPTSA-N 1 0 374.485 1.456 20 70 FDIDRO CSC[C@H](CCO)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159733795 524729876 /nfs/dbraw/zinc/72/98/76/524729876.db2.gz KZSMHEJVGKIVIR-PVAVHDDUSA-N 1 0 351.516 1.920 20 70 FDIDRO [NH3+][C@H](C(=O)NCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000159799752 524741416 /nfs/dbraw/zinc/74/14/16/524741416.db2.gz DXBJGILYAPESKU-KRWDZBQOSA-N 1 0 351.406 1.879 20 70 FDIDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 ZINC000159814401 524742793 /nfs/dbraw/zinc/74/27/93/524742793.db2.gz OCBBGKMXVUTARH-LESCRADOSA-N 1 0 361.486 1.807 20 70 FDIDRO CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000159816676 524744820 /nfs/dbraw/zinc/74/48/20/524744820.db2.gz NTBQUPOHEWQXSK-VQIMIIECSA-N 1 0 373.497 1.829 20 70 FDIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 ZINC000159814686 524744905 /nfs/dbraw/zinc/74/49/05/524744905.db2.gz OCBBGKMXVUTARH-YXJHDRRASA-N 1 0 361.486 1.807 20 70 FDIDRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000159826707 524747349 /nfs/dbraw/zinc/74/73/49/524747349.db2.gz NWPYLKDRQPYVJC-GHTZIAJQSA-N 1 0 366.465 1.368 20 70 FDIDRO CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000159831259 524749196 /nfs/dbraw/zinc/74/91/96/524749196.db2.gz NDZOZTPVGMZTOC-QZTJIDSGSA-N 1 0 374.485 1.056 20 70 FDIDRO CCc1cc(N2CCC[C@@H](NC(=O)N3CCC[N@@H+](CC)CC3)C2)ncn1 ZINC000159856302 524753336 /nfs/dbraw/zinc/75/33/36/524753336.db2.gz WCQMZWDEGZGIGD-QGZVFWFLSA-N 1 0 360.506 1.745 20 70 FDIDRO Cc1nn(C)cc1C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000159869278 524758235 /nfs/dbraw/zinc/75/82/35/524758235.db2.gz VQJXRLNZGTVCBU-UHFFFAOYSA-N 1 0 362.499 1.980 20 70 FDIDRO O=C(COc1ccccc1)N1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000160015471 524789639 /nfs/dbraw/zinc/78/96/39/524789639.db2.gz HFYGOZRWQSKKFJ-HDICACEKSA-N 1 0 371.481 1.657 20 70 FDIDRO CSc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1F ZINC000160116232 524811908 /nfs/dbraw/zinc/81/19/08/524811908.db2.gz IQZWGDMNHJGTMC-CYBMUJFWSA-N 1 0 353.463 1.865 20 70 FDIDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCn2cccc2)cc1 ZINC000160135593 524815930 /nfs/dbraw/zinc/81/59/30/524815930.db2.gz ILPBNKWMLZMQKT-UHFFFAOYSA-N 1 0 371.441 1.133 20 70 FDIDRO Cc1noc(C)c1[C@H](C)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000160157821 524821154 /nfs/dbraw/zinc/82/11/54/524821154.db2.gz SPRXUFORCZQLOG-CZUORRHYSA-N 1 0 362.474 1.550 20 70 FDIDRO CC(C)(C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000160186879 524826009 /nfs/dbraw/zinc/82/60/09/524826009.db2.gz NXKQGVBLBIWXKZ-INIZCTEOSA-N 1 0 362.470 1.698 20 70 FDIDRO NC(=O)Nc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160184764 524826657 /nfs/dbraw/zinc/82/66/57/524826657.db2.gz DIOARAUZXTXYIB-IRXDYDNUSA-N 1 0 360.458 1.675 20 70 FDIDRO C[C@H](c1ccccc1)N1C[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1=O ZINC000160230152 524836799 /nfs/dbraw/zinc/83/67/99/524836799.db2.gz JEZPQYNDHNUMFL-QRQLOZEOSA-N 1 0 373.497 1.559 20 70 FDIDRO Cc1conc1NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000160251191 524840975 /nfs/dbraw/zinc/84/09/75/524840975.db2.gz FAEGGTWDCNJQPH-UHFFFAOYSA-N 1 0 352.460 1.399 20 70 FDIDRO COCCc1noc(CN(C)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC000160259854 524843125 /nfs/dbraw/zinc/84/31/25/524843125.db2.gz WWHANSAIEOLBPL-OAHLLOKOSA-N 1 0 367.494 1.910 20 70 FDIDRO COc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1OC(F)F ZINC000160275548 524847496 /nfs/dbraw/zinc/84/74/96/524847496.db2.gz NUOHKPVEGIBNFV-CYBMUJFWSA-N 1 0 358.385 1.873 20 70 FDIDRO CC(C)(C)C(=O)NCCCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160287575 524850057 /nfs/dbraw/zinc/85/00/57/524850057.db2.gz YYMDEAAWDKAFGZ-DLBZAZTESA-N 1 0 367.534 1.813 20 70 FDIDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000160293058 524851604 /nfs/dbraw/zinc/85/16/04/524851604.db2.gz BCPOPEMDDPPNIE-IYBDPMFKSA-N 1 0 370.501 1.599 20 70 FDIDRO NC(=O)NC1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000160315508 524857206 /nfs/dbraw/zinc/85/72/06/524857206.db2.gz QHCGXHUZJJUETD-CQSZACIVSA-N 1 0 350.850 1.794 20 70 FDIDRO CC(C)N(C[C@@H](C)O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000160353713 524864515 /nfs/dbraw/zinc/86/45/15/524864515.db2.gz SANFEGHUQRLHTN-GOSISDBHSA-N 1 0 362.518 2.000 20 70 FDIDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2c(CC)c(CC)n[nH]c2=O)C1 ZINC000160357521 524867682 /nfs/dbraw/zinc/86/76/82/524867682.db2.gz KCUWIPFVSOLPOX-AWEZNQCLSA-N 1 0 363.506 1.768 20 70 FDIDRO O=C(CCCNC(=O)c1ccc(F)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160372797 524871222 /nfs/dbraw/zinc/87/12/22/524871222.db2.gz XFXQHDQKLWEVJR-KRWDZBQOSA-N 1 0 365.449 1.299 20 70 FDIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000160419754 524884868 /nfs/dbraw/zinc/88/48/68/524884868.db2.gz ONHZAGWQLIYNNV-GFCCVEGCSA-N 1 0 361.446 1.679 20 70 FDIDRO C[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)N1CCSCC1 ZINC000160525575 524908833 /nfs/dbraw/zinc/90/88/33/524908833.db2.gz KEVFKTHLCSZINZ-NJAFHUGGSA-N 1 0 363.527 1.175 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cnn(-c2ccccc2)n1 ZINC000160552743 524914649 /nfs/dbraw/zinc/91/46/49/524914649.db2.gz JHMQFXDWLZTIOP-OALUTQOASA-N 1 0 369.469 1.765 20 70 FDIDRO CCCC[C@H](NC(N)=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160554679 524914826 /nfs/dbraw/zinc/91/48/26/524914826.db2.gz HJUAUNMXKSUVIF-XHSDSOJGSA-N 1 0 354.495 1.098 20 70 FDIDRO Cc1cccc2nc(C[NH+]3CCC(c4ccnn4CCO)CC3)cc(=O)n12 ZINC000160557263 524915292 /nfs/dbraw/zinc/91/52/92/524915292.db2.gz XRTUPXDEVADQBZ-UHFFFAOYSA-N 1 0 367.453 1.571 20 70 FDIDRO Cc1cc(C(=O)NCC2CC[NH+](CCO)CC2)c(C)n1-c1nccs1 ZINC000160591492 524921960 /nfs/dbraw/zinc/92/19/60/524921960.db2.gz PYMTVWXSLGTIOZ-UHFFFAOYSA-N 1 0 362.499 1.985 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccnc1OCC(F)(F)F ZINC000160591351 524922895 /nfs/dbraw/zinc/92/28/95/524922895.db2.gz QGNDFFFEQAASKJ-UHFFFAOYSA-N 1 0 361.364 1.457 20 70 FDIDRO CC(=O)N[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000160648696 524937712 /nfs/dbraw/zinc/93/77/12/524937712.db2.gz ITVYXOYONCZXIL-RTBURBONSA-N 1 0 361.486 1.525 20 70 FDIDRO O=C(Cc1ccc(Br)cc1)NCC1CC[NH+](CCO)CC1 ZINC000160652112 524938145 /nfs/dbraw/zinc/93/81/45/524938145.db2.gz WGYBZJJZZAYWJK-UHFFFAOYSA-N 1 0 355.276 1.812 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ncn(-c2ccccc2)n1 ZINC000160648715 524938241 /nfs/dbraw/zinc/93/82/41/524938241.db2.gz OZLAKIJJWTWIOU-MSOLQXFVSA-N 1 0 369.469 1.765 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000160656936 524939249 /nfs/dbraw/zinc/93/92/49/524939249.db2.gz BVCPLCSRNKAVNZ-HXUWFJFHSA-N 1 0 373.497 1.561 20 70 FDIDRO COc1ccc(S[C@H](C)C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160667658 524942560 /nfs/dbraw/zinc/94/25/60/524942560.db2.gz YALJBYDRURFZQG-CQSZACIVSA-N 1 0 352.500 1.996 20 70 FDIDRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@@H](C)O1 ZINC000160705266 524953562 /nfs/dbraw/zinc/95/35/62/524953562.db2.gz RUHXPHHOUWQHRU-RWQQGDIJSA-N 1 0 364.534 1.754 20 70 FDIDRO CC(=O)NC1(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CCCCC1 ZINC000160725711 524957365 /nfs/dbraw/zinc/95/73/65/524957365.db2.gz RMYBTNPAAWEALK-RTBURBONSA-N 1 0 373.497 1.577 20 70 FDIDRO O=C(Cc1ccc2c(c1)OCO2)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160752500 524964344 /nfs/dbraw/zinc/96/43/44/524964344.db2.gz YUZJXTXGMGBFHN-IRXDYDNUSA-N 1 0 360.454 1.842 20 70 FDIDRO COC[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000160780734 524968670 /nfs/dbraw/zinc/96/86/70/524968670.db2.gz ICRQYFJAJMSGMW-LJQANCHMSA-N 1 0 361.486 1.868 20 70 FDIDRO COc1ccc(C(C)(C)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000160860426 524986642 /nfs/dbraw/zinc/98/66/42/524986642.db2.gz NKQRROBKMJARPO-OAHLLOKOSA-N 1 0 361.486 1.676 20 70 FDIDRO COC[C@@H](C)S(=O)(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000161128923 525038453 /nfs/dbraw/zinc/03/84/53/525038453.db2.gz PUKGFADEFJYJMI-CQSZACIVSA-N 1 0 356.488 1.098 20 70 FDIDRO Cn1cc([C@]2(C)CN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CCO2)cn1 ZINC000161125413 525038603 /nfs/dbraw/zinc/03/86/03/525038603.db2.gz JURLRWXMEIENSQ-LPHOPBHVSA-N 1 0 361.490 1.694 20 70 FDIDRO CC(=O)N1CCc2cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)ccc21 ZINC000161242016 525063209 /nfs/dbraw/zinc/06/32/09/525063209.db2.gz SBFZJNBOPKDBMT-MRXNPFEDSA-N 1 0 353.488 1.590 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cnn1-c1ccccc1F ZINC000161250235 525064399 /nfs/dbraw/zinc/06/43/99/525064399.db2.gz DVWXSPZXNNNGEN-KRWDZBQOSA-N 1 0 373.432 1.715 20 70 FDIDRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161341592 525084487 /nfs/dbraw/zinc/08/44/87/525084487.db2.gz AKFOIPHWKYZWNF-BLLLJJGKSA-N 1 0 373.501 1.656 20 70 FDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000161334283 525084577 /nfs/dbraw/zinc/08/45/77/525084577.db2.gz CQJDJBFIOUBBJK-DYVFJYSZSA-N 1 0 358.417 1.830 20 70 FDIDRO CC[C@H](C)[N@H+](C)CCNC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000161392971 525098737 /nfs/dbraw/zinc/09/87/37/525098737.db2.gz REMXQFSURNLCPH-SFHVURJKSA-N 1 0 374.529 1.962 20 70 FDIDRO Cc1cc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c(Cl)cc1F ZINC000161389341 525099225 /nfs/dbraw/zinc/09/92/25/525099225.db2.gz SRTVIQWQMNQVOT-UHFFFAOYSA-N 1 0 364.870 1.770 20 70 FDIDRO Cc1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1N(C)C ZINC000161407077 525101062 /nfs/dbraw/zinc/10/10/62/525101062.db2.gz FZSLZNIHYSLXNT-UHFFFAOYSA-N 1 0 355.504 1.044 20 70 FDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000161469510 525114440 /nfs/dbraw/zinc/11/44/40/525114440.db2.gz IWBFFHRKLAMNCI-CQSZACIVSA-N 1 0 358.479 1.680 20 70 FDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000161504437 525119351 /nfs/dbraw/zinc/11/93/51/525119351.db2.gz ASCOWVNAOXIZLF-LBPRGKRZSA-N 1 0 356.366 1.176 20 70 FDIDRO CC[NH+](CC)CCNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000159588175 173682783 /nfs/dbraw/zinc/68/27/83/173682783.db2.gz YBGWFNCFPLTEGL-UHFFFAOYSA-N 1 0 351.831 1.198 20 70 FDIDRO [NH3+]CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000160106674 173698717 /nfs/dbraw/zinc/69/87/17/173698717.db2.gz UONSOCHMBGDNCP-ZDUSSCGKSA-N 1 0 354.248 1.519 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000160112346 173699857 /nfs/dbraw/zinc/69/98/57/173699857.db2.gz KOSWTRBIQVBOPC-HXUWFJFHSA-N 1 0 368.477 1.886 20 70 FDIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000160221359 173702711 /nfs/dbraw/zinc/70/27/11/173702711.db2.gz YWNVSFXBUQLRTI-DLBZAZTESA-N 1 0 365.499 1.178 20 70 FDIDRO O=C(CNC(=O)Cc1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160381023 173708288 /nfs/dbraw/zinc/70/82/88/173708288.db2.gz JFPULFWTCPPAEG-MOPGFXCFSA-N 1 0 373.497 1.229 20 70 FDIDRO O=C(Cn1c(=O)[nH]c2ccccc21)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160752188 173720969 /nfs/dbraw/zinc/72/09/69/173720969.db2.gz YOPBOADCJSFKEF-ZWKOTPCHSA-N 1 0 372.469 1.214 20 70 FDIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000159364601 524654610 /nfs/dbraw/zinc/65/46/10/524654610.db2.gz JXDKZAOOTLEHRP-VXGBXAGGSA-N 1 0 353.369 1.652 20 70 FDIDRO CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000159364893 524654717 /nfs/dbraw/zinc/65/47/17/524654717.db2.gz TUBGWGZYKPFBTR-RYUDHWBXSA-N 1 0 355.385 1.883 20 70 FDIDRO C[C@@H](C(=O)N1CCc2ccccc21)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159387559 524658385 /nfs/dbraw/zinc/65/83/85/524658385.db2.gz IKBRXBOLOJQORW-HNAYVOBHSA-N 1 0 370.497 1.378 20 70 FDIDRO CCOc1ccccc1N(C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000159393805 524659244 /nfs/dbraw/zinc/65/92/44/524659244.db2.gz IGPYPLWXWMJULX-QGZVFWFLSA-N 1 0 363.502 1.995 20 70 FDIDRO C[C@@H](c1nc(-c2cccnc2)no1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159390494 524659820 /nfs/dbraw/zinc/65/98/20/524659820.db2.gz UWIAFLWPHYUCPY-XJKSGUPXSA-N 1 0 370.457 1.607 20 70 FDIDRO Cc1cc(C)n2c(C[N@@H+]3CCCC[C@H]3CCNS(C)(=O)=O)cnc2n1 ZINC000159416649 524665103 /nfs/dbraw/zinc/66/51/03/524665103.db2.gz UNOOZVGIHPFUSF-HNNXBMFYSA-N 1 0 365.503 1.640 20 70 FDIDRO COC(=O)CNC(=O)CC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000159466063 524675961 /nfs/dbraw/zinc/67/59/61/524675961.db2.gz HYQVBOFREAACLG-CQSZACIVSA-N 1 0 351.422 1.184 20 70 FDIDRO C[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C[C@H]1CCC[C@@H]1O ZINC000159558205 524698307 /nfs/dbraw/zinc/69/83/07/524698307.db2.gz UXUWGKUESZTPBE-APWZRJJASA-N 1 0 363.477 1.957 20 70 FDIDRO C[C@H](CNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)CN1CCOCC1 ZINC000159587013 524701090 /nfs/dbraw/zinc/70/10/90/524701090.db2.gz PRBZZFPRXOKNRK-MSOLQXFVSA-N 1 0 362.518 1.774 20 70 FDIDRO C[C@@]1(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000159663092 524716762 /nfs/dbraw/zinc/71/67/62/524716762.db2.gz BRDYHWIJISELQE-GOSISDBHSA-N 1 0 365.499 1.097 20 70 FDIDRO C[C@@H](NC(=O)CNC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccc(F)cc1 ZINC000159670107 524716931 /nfs/dbraw/zinc/71/69/31/524716931.db2.gz LCEXUUDFORNCOT-KMFMINBZSA-N 1 0 365.449 1.212 20 70 FDIDRO COC1(C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)CC[NH2+]CC1 ZINC000159677108 524719385 /nfs/dbraw/zinc/71/93/85/524719385.db2.gz WDYNTMBBDPIXQH-UHFFFAOYSA-N 1 0 365.861 1.279 20 70 FDIDRO C[N@@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)C[C@H]1CCC[C@@H]1O ZINC000159694502 524723684 /nfs/dbraw/zinc/72/36/84/524723684.db2.gz PDBDIGKZCQNGMI-MOPGFXCFSA-N 1 0 373.497 1.518 20 70 FDIDRO COc1cc(F)ccc1N1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000159721242 524728185 /nfs/dbraw/zinc/72/81/85/524728185.db2.gz FHFVCBGHUPJDIS-HNNXBMFYSA-N 1 0 367.490 1.920 20 70 FDIDRO O=C(CCn1cc(Br)ccc1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159763919 524734686 /nfs/dbraw/zinc/73/46/86/524734686.db2.gz AEICHPUUTKBABF-BETUJISGSA-N 1 0 354.248 1.354 20 70 FDIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000159812619 524743976 /nfs/dbraw/zinc/74/39/76/524743976.db2.gz GXNFFYATDBCQCJ-UZLBHIALSA-N 1 0 359.470 1.433 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(OC2CCOCC2)cc1 ZINC000159910514 524766756 /nfs/dbraw/zinc/76/67/56/524766756.db2.gz SOJVVPRAEGWCAB-KRWDZBQOSA-N 1 0 362.470 1.821 20 70 FDIDRO C[C@]1(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CCCN1C(=O)c1ccccc1 ZINC000159932716 524770460 /nfs/dbraw/zinc/77/04/60/524770460.db2.gz HEYCPHHCTVZZFQ-WIYYLYMNSA-N 1 0 373.497 1.644 20 70 FDIDRO O=C(c1ccc(F)cc1F)N1CCCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000159946280 524772639 /nfs/dbraw/zinc/77/26/39/524772639.db2.gz DSLDUZRVYPMEAN-UHFFFAOYSA-N 1 0 351.397 1.639 20 70 FDIDRO COC(=O)Cn1cc(CC[NH+]2CCC(Cn3nc(C)cc3C)CC2)nn1 ZINC000159981476 524780393 /nfs/dbraw/zinc/78/03/93/524780393.db2.gz ZFXSQIWIPCOSMZ-UHFFFAOYSA-N 1 0 360.462 1.219 20 70 FDIDRO C[NH+](C)CCN(C(=O)NC1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000159980134 524780432 /nfs/dbraw/zinc/78/04/32/524780432.db2.gz SYKUFPHJYDLVFR-UHFFFAOYSA-N 1 0 360.506 1.961 20 70 FDIDRO CC[NH+]1CCN([C@H](C)CNC(=O)CCN2c3ccccc3CCC2=O)CC1 ZINC000160074769 524802250 /nfs/dbraw/zinc/80/22/50/524802250.db2.gz JHZCSZQHJMGSRO-QGZVFWFLSA-N 1 0 372.513 1.498 20 70 FDIDRO O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@@H]1CCC[NH2+]C1 ZINC000160086107 524805825 /nfs/dbraw/zinc/80/58/25/524805825.db2.gz SYEGCYPGQHOYDX-BXUZGUMPSA-N 1 0 355.360 1.927 20 70 FDIDRO Cc1nn(C)c(=O)c(C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)c1C ZINC000160109207 524810223 /nfs/dbraw/zinc/81/02/23/524810223.db2.gz IOYRPEKEUXMRRN-UHFFFAOYSA-N 1 0 372.444 1.931 20 70 FDIDRO O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160144236 524819287 /nfs/dbraw/zinc/81/92/87/524819287.db2.gz JBBVSRSFEHYDTE-NJGYHNCTSA-N 1 0 371.481 1.555 20 70 FDIDRO CC(C)(C)C(=O)N1CCC[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000160163189 524822269 /nfs/dbraw/zinc/82/22/69/524822269.db2.gz XUBBSEOUHARGBQ-HOTGVXAUSA-N 1 0 353.507 1.234 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)nc(N2CCCC2)c1 ZINC000160231556 524837414 /nfs/dbraw/zinc/83/74/14/524837414.db2.gz BUAOQIKCUHNNCK-OAHLLOKOSA-N 1 0 366.893 1.912 20 70 FDIDRO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccnn2Cc2ccccc2F)CCO1 ZINC000160246007 524841336 /nfs/dbraw/zinc/84/13/36/524841336.db2.gz CACNYSCMEKWPQH-OAHLLOKOSA-N 1 0 361.421 1.865 20 70 FDIDRO Cc1noc2nc(C3CC3)cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)c12 ZINC000160251294 524841720 /nfs/dbraw/zinc/84/17/20/524841720.db2.gz VWCLSJNDOUIODJ-CQSZACIVSA-N 1 0 358.442 1.985 20 70 FDIDRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000160264779 524842970 /nfs/dbraw/zinc/84/29/70/524842970.db2.gz RIZFFIKONSUQGD-ZIAGYGMSSA-N 1 0 351.397 1.301 20 70 FDIDRO COc1ccc(N2C(=O)C[C@@H]([N@H+](C)CCCn3ccnc3C)C2=O)cn1 ZINC000160257556 524843232 /nfs/dbraw/zinc/84/32/32/524843232.db2.gz UELHIUUQGUHYAW-OAHLLOKOSA-N 1 0 357.414 1.249 20 70 FDIDRO C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCC[C@@H]3C[NH3+])n(C)c2)C1 ZINC000160259495 524843894 /nfs/dbraw/zinc/84/38/94/524843894.db2.gz FZGITHQAJKIRIV-UONOGXRCSA-N 1 0 368.503 1.009 20 70 FDIDRO COCCc1noc(CN(C)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000160287222 524849333 /nfs/dbraw/zinc/84/93/33/524849333.db2.gz TWENXLRZXSHEQF-HUUCEWRRSA-N 1 0 367.494 1.768 20 70 FDIDRO COCCc1noc(CN(C)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000160286980 524849772 /nfs/dbraw/zinc/84/97/72/524849772.db2.gz TWENXLRZXSHEQF-GASCZTMLSA-N 1 0 367.494 1.768 20 70 FDIDRO CCN(C(=O)N[C@@H]1CCC(=O)N(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160335546 524860093 /nfs/dbraw/zinc/86/00/93/524860093.db2.gz UFFOLEUPNGEFLK-QZTJIDSGSA-N 1 0 358.486 1.913 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(c2cccc(F)c2)CCOCC1 ZINC000160348136 524864410 /nfs/dbraw/zinc/86/44/10/524864410.db2.gz UBWAJIZNIUTIJB-SFHVURJKSA-N 1 0 364.461 1.837 20 70 FDIDRO CN1CC[NH+](CCCCNC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160365491 524869052 /nfs/dbraw/zinc/86/90/52/524869052.db2.gz MPUFNUJMKKZRLX-UHFFFAOYSA-N 1 0 362.400 1.595 20 70 FDIDRO O=C(CNC(=O)Cc1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160381440 524874058 /nfs/dbraw/zinc/87/40/58/524874058.db2.gz JFPULFWTCPPAEG-RBUKOAKNSA-N 1 0 373.497 1.229 20 70 FDIDRO O=C(CNC(=O)c1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160379379 524874579 /nfs/dbraw/zinc/87/45/79/524874579.db2.gz HCBALBBAIPGOHP-ZWKOTPCHSA-N 1 0 359.470 1.301 20 70 FDIDRO COc1ccc(COCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160411008 524882256 /nfs/dbraw/zinc/88/22/56/524882256.db2.gz HFMZISAEWOXJAI-KRWDZBQOSA-N 1 0 350.459 1.565 20 70 FDIDRO COc1cc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)ccc1S(C)(=O)=O ZINC000160434118 524887740 /nfs/dbraw/zinc/88/77/40/524887740.db2.gz RVDXKQFFGJXBMS-RISCZKNCSA-N 1 0 364.471 1.664 20 70 FDIDRO Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160441690 524890234 /nfs/dbraw/zinc/89/02/34/524890234.db2.gz NZDAQLUFLLYMQC-CQSZACIVSA-N 1 0 363.487 1.429 20 70 FDIDRO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC([NH3+])(CC)CC)cc1 ZINC000160487716 524899204 /nfs/dbraw/zinc/89/92/04/524899204.db2.gz JWKVOOCUPDTEEZ-UHFFFAOYSA-N 1 0 355.504 1.964 20 70 FDIDRO CN(C)CC[NH+]1CCC(CNC(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000160588605 524923520 /nfs/dbraw/zinc/92/35/20/524923520.db2.gz YKFCVRQZTDITSY-UHFFFAOYSA-N 1 0 373.544 1.155 20 70 FDIDRO COC(=O)CN1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000160652963 524936941 /nfs/dbraw/zinc/93/69/41/524936941.db2.gz XHJWARVGHWMNGP-UHFFFAOYSA-N 1 0 353.507 1.452 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000160679546 524946920 /nfs/dbraw/zinc/94/69/20/524946920.db2.gz DSBKNUAHTYIMGR-QGZVFWFLSA-N 1 0 369.469 1.926 20 70 FDIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnn(-c3ccccc3)c2C)C1 ZINC000160707821 524953825 /nfs/dbraw/zinc/95/38/25/524953825.db2.gz QBNYQWVVAUIQNL-INIZCTEOSA-N 1 0 369.469 1.967 20 70 FDIDRO Cc1ccc(S(=O)(=O)NCCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1C ZINC000160737421 524959934 /nfs/dbraw/zinc/95/99/34/524959934.db2.gz HUQHJYUIINZVAT-IYBDPMFKSA-N 1 0 365.499 1.325 20 70 FDIDRO O=C(Cc1ccc2c(c1)OCO2)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160752621 524964327 /nfs/dbraw/zinc/96/43/27/524964327.db2.gz YUZJXTXGMGBFHN-IAGOWNOFSA-N 1 0 360.454 1.842 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cnc(C(F)(F)F)nc1 ZINC000160784793 524971338 /nfs/dbraw/zinc/97/13/38/524971338.db2.gz MKAHAVVCMKMZHG-KBPBESRZSA-N 1 0 372.391 1.993 20 70 FDIDRO CNS(=O)(=O)[C@@H]1CCN(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1 ZINC000160860724 524986527 /nfs/dbraw/zinc/98/65/27/524986527.db2.gz CERZRLYGQDTDEY-MRXNPFEDSA-N 1 0 374.551 1.078 20 70 FDIDRO CCN(C)C(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160952104 525001474 /nfs/dbraw/zinc/00/14/74/525001474.db2.gz TXTTXWAMBYIFIX-INIZCTEOSA-N 1 0 355.442 1.747 20 70 FDIDRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@H]3CCn4ccnc4C3)cc21 ZINC000161002385 525014670 /nfs/dbraw/zinc/01/46/70/525014670.db2.gz WFXREVZITJYCCU-ZDUSSCGKSA-N 1 0 369.425 1.554 20 70 FDIDRO COCc1nc2n(n1)C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)CC2 ZINC000161116213 525036506 /nfs/dbraw/zinc/03/65/06/525036506.db2.gz LUYAUDBVRDZOOE-NRXISQOPSA-N 1 0 364.494 1.159 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000161135792 525041307 /nfs/dbraw/zinc/04/13/07/525041307.db2.gz QXPCATIUWPRGPO-AWEZNQCLSA-N 1 0 350.463 1.968 20 70 FDIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@]2(O)CCSC2)CC1 ZINC000161229256 525059784 /nfs/dbraw/zinc/05/97/84/525059784.db2.gz WFWWPWWWXWKXBH-RDTXWAMCSA-N 1 0 364.515 1.774 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000161255753 525066783 /nfs/dbraw/zinc/06/67/83/525066783.db2.gz AJRSHDIUOBOOPK-NVXWUHKLSA-N 1 0 369.469 1.626 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)cnn1-c1ccccc1F ZINC000161289942 525074839 /nfs/dbraw/zinc/07/48/39/525074839.db2.gz KCBOGPAIHYPSAG-CYBMUJFWSA-N 1 0 359.405 1.326 20 70 FDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1sc2nc(COC)nc(OC)c2c1C ZINC000161310384 525077672 /nfs/dbraw/zinc/07/76/72/525077672.db2.gz VDTYFFOODDEZJZ-LLVKDONJSA-N 1 0 364.471 1.979 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000161307440 525079362 /nfs/dbraw/zinc/07/93/62/525079362.db2.gz OKBSZXMDOSVKNW-WMZOPIPTSA-N 1 0 361.461 1.817 20 70 FDIDRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161341696 525085241 /nfs/dbraw/zinc/08/52/41/525085241.db2.gz AKFOIPHWKYZWNF-LRDDRELGSA-N 1 0 373.501 1.656 20 70 FDIDRO Cc1ccc2cc(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)ccc2n1 ZINC000161425645 525106163 /nfs/dbraw/zinc/10/61/63/525106163.db2.gz JGYOKLSTJBAQHP-QGZVFWFLSA-N 1 0 354.454 1.860 20 70 FDIDRO CCC(=O)N1CC[C@H](C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000161435517 525108047 /nfs/dbraw/zinc/10/80/47/525108047.db2.gz FXDJJWZMBNAESS-NUJGCVRESA-N 1 0 365.518 1.593 20 70 FDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2cc(F)cc(F)c2)CC1 ZINC000161460442 525114543 /nfs/dbraw/zinc/11/45/43/525114543.db2.gz DQRBZZWMROWNTC-GFCCVEGCSA-N 1 0 362.442 1.678 20 70 FDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000161476253 525116273 /nfs/dbraw/zinc/11/62/73/525116273.db2.gz BGOKFKZRYXCPOC-CYBMUJFWSA-N 1 0 366.487 1.276 20 70 FDIDRO CN1CCN(C(=O)CN2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000216703407 537450251 /nfs/dbraw/zinc/45/02/51/537450251.db2.gz DRVUZTSQQFZXGW-UHFFFAOYSA-N 1 0 366.509 1.731 20 70 FDIDRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000218105394 537459339 /nfs/dbraw/zinc/45/93/39/537459339.db2.gz DUSAUEXJBWCVJE-CQSZACIVSA-N 1 0 361.423 1.425 20 70 FDIDRO CC(C)N1C[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000217289087 178270498 /nfs/dbraw/zinc/27/04/98/178270498.db2.gz SNGQKQXSFUXXMT-GOSISDBHSA-N 1 0 358.486 1.960 20 70 FDIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(Br)cc1F ZINC000159948606 173693440 /nfs/dbraw/zinc/69/34/40/173693440.db2.gz CWZLZTQCXAQICK-NSHDSACASA-N 1 0 351.241 1.946 20 70 FDIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000160412459 173710046 /nfs/dbraw/zinc/71/00/46/173710046.db2.gz GFZRGYNQXTXOTJ-HUUCEWRRSA-N 1 0 367.490 1.602 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(-n2cccn2)n1 ZINC000160763806 173721302 /nfs/dbraw/zinc/72/13/02/173721302.db2.gz BNMREUDTWASMOW-QZTJIDSGSA-N 1 0 369.469 1.765 20 70 FDIDRO COC1(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)CC[NH2+]CC1 ZINC000160934510 173725788 /nfs/dbraw/zinc/72/57/88/173725788.db2.gz VBMGKJJCOBQIKM-CQSZACIVSA-N 1 0 365.861 1.720 20 70 FDIDRO CC(=O)N(C)c1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000159363842 524651442 /nfs/dbraw/zinc/65/14/42/524651442.db2.gz NDRIITUMEXISCX-INIZCTEOSA-N 1 0 374.485 1.702 20 70 FDIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CC(=O)NC2CCCCCCC2)CC1 ZINC000159380796 524656262 /nfs/dbraw/zinc/65/62/62/524656262.db2.gz NLAUONWVWOHPOY-GOSISDBHSA-N 1 0 364.534 1.630 20 70 FDIDRO C[C@@H](C(=O)N1CCCCCC1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159405810 524662360 /nfs/dbraw/zinc/66/23/60/524662360.db2.gz TVTFSLHMWJMDSN-DOTOQJQBSA-N 1 0 350.507 1.192 20 70 FDIDRO CNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000159424941 524668167 /nfs/dbraw/zinc/66/81/67/524668167.db2.gz NPQMLUPIIOKQMT-CQSZACIVSA-N 1 0 360.458 1.079 20 70 FDIDRO O=C([C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)N1CC[NH2+]CC1 ZINC000159453951 524675264 /nfs/dbraw/zinc/67/52/64/524675264.db2.gz DBGOUPXZSRTUJN-OAHLLOKOSA-N 1 0 362.499 1.370 20 70 FDIDRO C[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C[C@@H]1CCC[C@@H]1O ZINC000159558050 524697804 /nfs/dbraw/zinc/69/78/04/524697804.db2.gz UXUWGKUESZTPBE-LPHOPBHVSA-N 1 0 363.477 1.957 20 70 FDIDRO Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000159579549 524702343 /nfs/dbraw/zinc/70/23/43/524702343.db2.gz GMGDQIWOXBPNQR-HNNXBMFYSA-N 1 0 367.515 1.883 20 70 FDIDRO C[C@@H]1C[C@H](NC(=O)NCC2(CO)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000159612699 524707469 /nfs/dbraw/zinc/70/74/69/524707469.db2.gz FGBKXBGCCGMYRR-AEFFLSMTSA-N 1 0 361.486 1.738 20 70 FDIDRO CCN(C(=O)CN(CCc1nccs1)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000159790516 524738627 /nfs/dbraw/zinc/73/86/27/524738627.db2.gz YLESWPYSXCJTAN-AWEZNQCLSA-N 1 0 373.544 1.432 20 70 FDIDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1(C2CC2)CCC1 ZINC000159839142 524750015 /nfs/dbraw/zinc/75/00/15/524750015.db2.gz CCJKNSWROJUHSS-INIZCTEOSA-N 1 0 350.507 1.809 20 70 FDIDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(-n4ccnn4)cc3)C2=O)n(C)n1 ZINC000159864705 524756192 /nfs/dbraw/zinc/75/61/92/524756192.db2.gz JHUXLQGLOIDWRB-WMLDXEAASA-N 1 0 365.441 1.765 20 70 FDIDRO CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1C(=O)c2ccccc2C1=O ZINC000159868792 524758824 /nfs/dbraw/zinc/75/88/24/524758824.db2.gz DINISYQHMMZHGQ-JKIFEVAISA-N 1 0 355.438 1.660 20 70 FDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000159905594 524765051 /nfs/dbraw/zinc/76/50/51/524765051.db2.gz CEPCLMOZTJINRA-KRWDZBQOSA-N 1 0 374.485 1.404 20 70 FDIDRO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159908143 524765632 /nfs/dbraw/zinc/76/56/32/524765632.db2.gz KRJIEOKSDSYLAU-RDTXWAMCSA-N 1 0 365.441 1.847 20 70 FDIDRO CC(C)NC(=O)Nc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000159946206 524772765 /nfs/dbraw/zinc/77/27/65/524772765.db2.gz QFKGPUPRWOXPEX-QGZVFWFLSA-N 1 0 362.474 1.793 20 70 FDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CCN1CCOCC1 ZINC000159972209 524780848 /nfs/dbraw/zinc/78/08/48/524780848.db2.gz MNHPERSYLQIBLI-MJGOQNOKSA-N 1 0 360.502 1.481 20 70 FDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000160019710 524788642 /nfs/dbraw/zinc/78/86/42/524788642.db2.gz UGQBQVOKHFEKDW-AYOQOUSVSA-N 1 0 370.497 1.960 20 70 FDIDRO COCCCOC1CN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000160030739 524792146 /nfs/dbraw/zinc/79/21/46/524792146.db2.gz XLOJKEWDHSIDIX-APWZRJJASA-N 1 0 361.486 1.954 20 70 FDIDRO CC(C)([NH3+])CNC(=O)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000160086236 524806202 /nfs/dbraw/zinc/80/62/02/524806202.db2.gz OMNAJNKJKGPZID-GFCCVEGCSA-N 1 0 359.348 1.792 20 70 FDIDRO Cc1c(NC(=O)C(=O)NCC[NH+]2CCCCC2)cnn1-c1ccccc1 ZINC000160100440 524807628 /nfs/dbraw/zinc/80/76/28/524807628.db2.gz FFVXWDKVHXQUPT-UHFFFAOYSA-N 1 0 355.442 1.721 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(-n2cccn2)ccn1 ZINC000160171314 524824272 /nfs/dbraw/zinc/82/42/72/524824272.db2.gz BWIIVEGXJWYKFN-RTBURBONSA-N 1 0 369.469 1.765 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)NCc2ccccc2C[NH+](C)C)co1 ZINC000160179302 524825476 /nfs/dbraw/zinc/82/54/76/524825476.db2.gz BLULJDYIFXIWIV-UHFFFAOYSA-N 1 0 351.428 1.179 20 70 FDIDRO COC(=O)c1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160223189 524834270 /nfs/dbraw/zinc/83/42/70/524834270.db2.gz PPXQWQTXPBXORU-QZTJIDSGSA-N 1 0 360.454 1.971 20 70 FDIDRO CCc1c(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[nH]c(C)c1C(N)=O ZINC000160270201 524844703 /nfs/dbraw/zinc/84/47/03/524844703.db2.gz VXZHVIOQXYRXGX-TXEJJXNPSA-N 1 0 350.463 1.214 20 70 FDIDRO COc1ccc2nc(C)cc(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)c2c1 ZINC000160265598 524845171 /nfs/dbraw/zinc/84/51/71/524845171.db2.gz NQLMSYHKNTUGHH-UHFFFAOYSA-N 1 0 370.453 1.398 20 70 FDIDRO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cnn1-c1ccc(F)cc1 ZINC000160351567 524865329 /nfs/dbraw/zinc/86/53/29/524865329.db2.gz YNNUJMOQVZXZSI-KRWDZBQOSA-N 1 0 360.433 1.896 20 70 FDIDRO CNS(=O)(=O)c1cc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)co1 ZINC000160368587 524868908 /nfs/dbraw/zinc/86/89/08/524868908.db2.gz QNTOHLIJJNKNDR-CQSZACIVSA-N 1 0 369.418 1.360 20 70 FDIDRO O=C(CSCC(=O)c1ccccc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160373304 524870972 /nfs/dbraw/zinc/87/09/72/524870972.db2.gz OLRJCRLPGUMBCP-INIZCTEOSA-N 1 0 350.484 1.566 20 70 FDIDRO C[C@H](C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000160379946 524873590 /nfs/dbraw/zinc/87/35/90/524873590.db2.gz DBTICWZHHAEUOA-SFHVURJKSA-N 1 0 359.514 1.983 20 70 FDIDRO O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000160391395 524875989 /nfs/dbraw/zinc/87/59/89/524875989.db2.gz OGLVAJXYZXOHTB-SJORKVTESA-N 1 0 365.474 1.990 20 70 FDIDRO Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000160402387 524881512 /nfs/dbraw/zinc/88/15/12/524881512.db2.gz CADKKIUVQLKUII-INIZCTEOSA-N 1 0 367.515 1.883 20 70 FDIDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)nc1)C1CC1 ZINC000160423594 524884218 /nfs/dbraw/zinc/88/42/18/524884218.db2.gz NCMBSRLGRLKWMO-UHFFFAOYSA-N 1 0 355.236 1.383 20 70 FDIDRO CCS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000160428446 524886721 /nfs/dbraw/zinc/88/67/21/524886721.db2.gz HIJMWLCRHONFSB-UHFFFAOYSA-N 1 0 364.511 1.967 20 70 FDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)CC2 ZINC000160441049 524890215 /nfs/dbraw/zinc/89/02/15/524890215.db2.gz RQCVDLMMKUNQDQ-GXFFZTMASA-N 1 0 352.435 1.795 20 70 FDIDRO COc1ccccc1OCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160453726 524894501 /nfs/dbraw/zinc/89/45/01/524894501.db2.gz DOEXBZDWXDZAIO-IRXDYDNUSA-N 1 0 362.470 1.958 20 70 FDIDRO C[C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@@H](c2ccc(F)cc2)O1 ZINC000160507423 524904429 /nfs/dbraw/zinc/90/44/29/524904429.db2.gz LGVFWASZHWAOPN-UGSOOPFHSA-N 1 0 373.432 1.944 20 70 FDIDRO COc1c(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(C)nn1C ZINC000160513672 524906201 /nfs/dbraw/zinc/90/62/01/524906201.db2.gz RMMODGHBUYOFRL-HOTGVXAUSA-N 1 0 358.442 1.102 20 70 FDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1n[nH]c(=O)c2ccccc21 ZINC000160553219 524913580 /nfs/dbraw/zinc/91/35/80/524913580.db2.gz XIXLIDVKUJHFNV-IRXDYDNUSA-N 1 0 370.453 1.421 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccccc1OC[C@@H]1CCCO1 ZINC000160550266 524914793 /nfs/dbraw/zinc/91/47/93/524914793.db2.gz PEPQYOSRWSMUGA-KRWDZBQOSA-N 1 0 362.470 1.679 20 70 FDIDRO Cn1nnc2cc(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)ccc21 ZINC000160557057 524914983 /nfs/dbraw/zinc/91/49/83/524914983.db2.gz KPQBTFGMUNMBNR-QZTJIDSGSA-N 1 0 357.458 1.466 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000160564396 524917250 /nfs/dbraw/zinc/91/72/50/524917250.db2.gz YMBOOMVLCBIHME-CXAGYDPISA-N 1 0 367.396 1.421 20 70 FDIDRO O=C(CCc1nc(-c2cccs2)no1)NCC1CC[NH+](CCO)CC1 ZINC000160624845 524932352 /nfs/dbraw/zinc/93/23/52/524932352.db2.gz OKQWNMOTEYINIO-UHFFFAOYSA-N 1 0 364.471 1.551 20 70 FDIDRO CCS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160633472 524934215 /nfs/dbraw/zinc/93/42/15/524934215.db2.gz TUWOMZCFXPGYBR-OAHLLOKOSA-N 1 0 354.472 1.057 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(CN2CCCC2=O)c1 ZINC000160627977 524934523 /nfs/dbraw/zinc/93/45/23/524934523.db2.gz SYHMUAMYDXOPLF-GOSISDBHSA-N 1 0 359.470 1.386 20 70 FDIDRO CCOc1ccc(C(=O)CCC(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160653146 524938505 /nfs/dbraw/zinc/93/85/05/524938505.db2.gz HEHSYMZAOLPIOL-UHFFFAOYSA-N 1 0 362.470 1.869 20 70 FDIDRO O=C(CCC(=O)NC1CCCC1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000160665513 524943128 /nfs/dbraw/zinc/94/31/28/524943128.db2.gz OFIKJPPTEHVLQA-MOPGFXCFSA-N 1 0 373.497 1.577 20 70 FDIDRO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160669098 524945576 /nfs/dbraw/zinc/94/55/76/524945576.db2.gz XYGYRKXEVPJXLI-MSOLQXFVSA-N 1 0 358.486 1.469 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000160696017 524951704 /nfs/dbraw/zinc/95/17/04/524951704.db2.gz ZQFNCHFSODXWHU-LJQANCHMSA-N 1 0 363.477 1.611 20 70 FDIDRO CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160706843 524953200 /nfs/dbraw/zinc/95/32/00/524953200.db2.gz ZQARBSXYDXQMPX-CVEARBPZSA-N 1 0 350.438 1.614 20 70 FDIDRO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160722912 524958516 /nfs/dbraw/zinc/95/85/16/524958516.db2.gz MDLVSMVQZXXWMN-UHFFFAOYSA-N 1 0 370.497 1.852 20 70 FDIDRO O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[NH+](C2CCOCC2)CC1 ZINC000160753345 524965169 /nfs/dbraw/zinc/96/51/69/524965169.db2.gz MDGBQKXGFLXSHY-UHFFFAOYSA-N 1 0 361.368 1.774 20 70 FDIDRO CCC[C@H]1CN(C(=O)Nc2ccn(CCOC)n2)CC[N@@H+]1CCOC ZINC000160861904 524986909 /nfs/dbraw/zinc/98/69/09/524986909.db2.gz SYYXPSSTBMYCBU-HNNXBMFYSA-N 1 0 353.467 1.494 20 70 FDIDRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])CC2 ZINC000160880554 524988900 /nfs/dbraw/zinc/98/89/00/524988900.db2.gz TWXDHYSGLWESKV-CVEARBPZSA-N 1 0 365.499 1.782 20 70 FDIDRO CS(=O)(=O)NCCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160996361 525011750 /nfs/dbraw/zinc/01/17/50/525011750.db2.gz VCLZSIUUCCUWQZ-QWHCGFSZSA-N 1 0 352.378 1.362 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC1 ZINC000161002701 525014141 /nfs/dbraw/zinc/01/41/41/525014141.db2.gz IVKHHRRXYOMCQW-GOSISDBHSA-N 1 0 358.486 1.782 20 70 FDIDRO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000161065683 525026782 /nfs/dbraw/zinc/02/67/82/525026782.db2.gz DIJXWMXQFGRCNX-TWMKSMIVSA-N 1 0 351.491 1.336 20 70 FDIDRO CO[C@@H]1CCN(C(=O)c2ccc(I)cc2)[C@@H](C[NH3+])C1 ZINC000161078702 525028665 /nfs/dbraw/zinc/02/86/65/525028665.db2.gz LISMXPQVMKNYKX-CHWSQXEVSA-N 1 0 374.222 1.870 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000161192306 525051852 /nfs/dbraw/zinc/05/18/52/525051852.db2.gz YBLJHCJCLXSFPM-AWEZNQCLSA-N 1 0 353.488 1.587 20 70 FDIDRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(CC)(CC)C[NH3+])CC2 ZINC000161243316 525063080 /nfs/dbraw/zinc/06/30/80/525063080.db2.gz IFNJEFGTXVHVHI-UHFFFAOYSA-N 1 0 353.488 1.639 20 70 FDIDRO CN(C)S(=O)(=O)c1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)co1 ZINC000161250804 525065004 /nfs/dbraw/zinc/06/50/04/525065004.db2.gz UIMOEQGNXWTUFC-UHFFFAOYSA-N 1 0 357.476 1.380 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cnn1-c1ccccc1F ZINC000161265759 525067848 /nfs/dbraw/zinc/06/78/48/525067848.db2.gz WEHCVKGQCWJYBQ-GFCCVEGCSA-N 1 0 373.432 1.857 20 70 FDIDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)[C@H]1CC[NH2+]C1 ZINC000161292461 525073616 /nfs/dbraw/zinc/07/36/16/525073616.db2.gz IOLCMYJGEGRINW-FZMZJTMJSA-N 1 0 353.369 1.509 20 70 FDIDRO CN(C)S(=O)(=O)c1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161303010 525075758 /nfs/dbraw/zinc/07/57/58/525075758.db2.gz ALEDOUJIAJJEQS-UHFFFAOYSA-N 1 0 354.472 1.712 20 70 FDIDRO C[C@H]1C[C@@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C(=O)N1c1ccccc1 ZINC000161309794 525077688 /nfs/dbraw/zinc/07/76/88/525077688.db2.gz VFJSWCQPWLRYFB-XJKSGUPXSA-N 1 0 368.441 1.126 20 70 FDIDRO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161350365 525087007 /nfs/dbraw/zinc/08/70/07/525087007.db2.gz DHPHKSUDYJNELU-WBVHZDCISA-N 1 0 359.474 1.608 20 70 FDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)Cc2cccc(F)c2)CC1 ZINC000161476544 525116010 /nfs/dbraw/zinc/11/60/10/525116010.db2.gz IWPMPCKIVLMLIN-CQSZACIVSA-N 1 0 358.479 1.680 20 70 FDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000161491854 525117964 /nfs/dbraw/zinc/11/79/64/525117964.db2.gz VGOVDFFKMVCLPA-CYBMUJFWSA-N 1 0 365.293 1.181 20 70 FDIDRO CN(CC(=O)N1CCOCC1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000161502741 525119372 /nfs/dbraw/zinc/11/93/72/525119372.db2.gz LPIZYQGXKUQYNO-UHFFFAOYSA-N 1 0 373.497 1.606 20 70 FDIDRO CC(C)N(C)Cc1nn(-c2cc(S(=O)(=O)F)ccn2)c2c1CC[NH2+]C2 ZINC001164685267 719652047 /nfs/dbraw/zinc/65/20/47/719652047.db2.gz YRIPAVDHBGSCNF-UHFFFAOYSA-N 1 0 367.450 1.411 20 70 FDIDRO Cc1cc(S(=O)(=O)F)cnc1N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164932553 721890032 /nfs/dbraw/zinc/89/00/32/721890032.db2.gz JAPHYWZQMMQUPG-LSDHHAIUSA-N 1 0 356.467 1.263 20 70 FDIDRO Cc1csc(N2CCC([NH2+]C3CCN(CC(=O)N(C)C)CC3)CC2)n1 ZINC000160377127 173708454 /nfs/dbraw/zinc/70/84/54/173708454.db2.gz HZIHGEHBKLXDDB-UHFFFAOYSA-N 1 0 365.547 1.563 20 70 FDIDRO C[C@H](C(=O)N1CCc2ccccc21)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159387691 524657741 /nfs/dbraw/zinc/65/77/41/524657741.db2.gz IKBRXBOLOJQORW-DNVCBOLYSA-N 1 0 370.497 1.378 20 70 FDIDRO C[C@@H]1C[NH+](CCCNC(=O)CCNC(=O)C2CCCCC2)C[C@@H](C)O1 ZINC000159392621 524660412 /nfs/dbraw/zinc/66/04/12/524660412.db2.gz DOPVQCZIMBFPTQ-HZPDHXFCSA-N 1 0 353.507 1.689 20 70 FDIDRO C[C@H](C(=O)N1CCCCCC1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159405937 524661471 /nfs/dbraw/zinc/66/14/71/524661471.db2.gz TVTFSLHMWJMDSN-NVXWUHKLSA-N 1 0 350.507 1.192 20 70 FDIDRO CN(C(=O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)C1CCCCC1 ZINC000159414046 524664454 /nfs/dbraw/zinc/66/44/54/524664454.db2.gz MKBIADQSJWMIFB-KRWDZBQOSA-N 1 0 350.507 1.192 20 70 FDIDRO Cc1cc(S(N)(=O)=O)cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1C ZINC000159455277 524673474 /nfs/dbraw/zinc/67/34/74/524673474.db2.gz GAXGJEPDOFCUGV-UONOGXRCSA-N 1 0 351.472 1.260 20 70 FDIDRO [NH3+]C1(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC000159459954 524673963 /nfs/dbraw/zinc/67/39/63/524673963.db2.gz ZLBGJLDURUVWRF-UHFFFAOYSA-N 1 0 357.451 1.272 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-n3cccn3)cc2)C1 ZINC000159458626 524675451 /nfs/dbraw/zinc/67/54/51/524675451.db2.gz FMPSMJTXQBKNCA-INIZCTEOSA-N 1 0 369.469 1.905 20 70 FDIDRO C[C@]1(C2CC2)NC(=O)N(CC(=O)NCC[NH2+]C2CCCCCC2)C1=O ZINC000159631338 524713544 /nfs/dbraw/zinc/71/35/44/524713544.db2.gz ICERHXYFBRRUMU-GOSISDBHSA-N 1 0 350.463 1.136 20 70 FDIDRO Cc1cc(S(N)(=O)=O)cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1C ZINC000159718989 524726689 /nfs/dbraw/zinc/72/66/89/524726689.db2.gz ARLPZXLKQJSRKB-UHFFFAOYSA-N 1 0 367.515 1.944 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CCO1 ZINC000159842839 524751745 /nfs/dbraw/zinc/75/17/45/524751745.db2.gz CLFKQTKSTXNHTB-QGZVFWFLSA-N 1 0 361.490 1.544 20 70 FDIDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159907339 524764873 /nfs/dbraw/zinc/76/48/73/524764873.db2.gz XLZXXMUNXXKXPR-GJZGRUSLSA-N 1 0 353.467 1.398 20 70 FDIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000159989312 524781964 /nfs/dbraw/zinc/78/19/64/524781964.db2.gz FTBDLOJHDWELFS-HNNXBMFYSA-N 1 0 373.501 1.997 20 70 FDIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000159991008 524784821 /nfs/dbraw/zinc/78/48/21/524784821.db2.gz NHBJFCAFSULFLR-CYBMUJFWSA-N 1 0 356.264 1.727 20 70 FDIDRO CNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000160002880 524787978 /nfs/dbraw/zinc/78/79/78/524787978.db2.gz PXFPFQKPEOEPTE-RYQLBKOJSA-N 1 0 358.486 1.817 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H](c1ccccc1)N1CCCCC1=O ZINC000160042744 524794256 /nfs/dbraw/zinc/79/42/56/524794256.db2.gz OWBWFSMJXQDFSU-ICSRJNTNSA-N 1 0 373.497 1.703 20 70 FDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(-n2ccnn2)c1 ZINC000160063119 524801099 /nfs/dbraw/zinc/80/10/99/524801099.db2.gz OAWHBENYWFXSMZ-RTBURBONSA-N 1 0 369.469 1.765 20 70 FDIDRO CC(=O)N(CCC(=O)NC[C@@H](O)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000160065172 524801892 /nfs/dbraw/zinc/80/18/92/524801892.db2.gz OAKRBVALTDIHIS-LJQANCHMSA-N 1 0 361.486 1.388 20 70 FDIDRO O=C(CCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)NC1CCCC1 ZINC000160064717 524801941 /nfs/dbraw/zinc/80/19/41/524801941.db2.gz FCRRPTZYHPJNHA-ROUUACIJSA-N 1 0 365.518 1.710 20 70 FDIDRO C[C@H]1C[C@H](NC(=O)N(C)CC(=O)N2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000160140495 524817767 /nfs/dbraw/zinc/81/77/67/524817767.db2.gz AXFRQVKTRRAXRH-WMZOPIPTSA-N 1 0 374.485 1.150 20 70 FDIDRO COc1cccc(-c2nc(C)c(C(=O)NCCCN3CC[NH+](C)CC3)[nH]2)c1 ZINC000160193477 524828395 /nfs/dbraw/zinc/82/83/95/524828395.db2.gz UXQGLUNILSMPBH-UHFFFAOYSA-N 1 0 371.485 1.761 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160193974 524828712 /nfs/dbraw/zinc/82/87/12/524828712.db2.gz DBGNGQJVUFDUQK-UHFFFAOYSA-N 1 0 364.446 1.055 20 70 FDIDRO Cc1nn(C)c(C)c1CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160211321 524831549 /nfs/dbraw/zinc/83/15/49/524831549.db2.gz GMVBTFOKRRAPPA-MOPGFXCFSA-N 1 0 362.518 1.854 20 70 FDIDRO CC(C)(C)c1noc(CCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000160216353 524832411 /nfs/dbraw/zinc/83/24/11/524832411.db2.gz JYNNEWXALWYGFT-AWEZNQCLSA-N 1 0 352.479 1.653 20 70 FDIDRO CCS(=O)(=O)NCc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000160221815 524835411 /nfs/dbraw/zinc/83/54/11/524835411.db2.gz OKDRQBATUFVVAM-UHFFFAOYSA-N 1 0 367.515 1.732 20 70 FDIDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cnn1-c1ccccc1 ZINC000160241408 524839152 /nfs/dbraw/zinc/83/91/52/524839152.db2.gz KYZADUCIRSFMBK-HNNXBMFYSA-N 1 0 367.453 1.720 20 70 FDIDRO C[C@@H](NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1)c1ccccc1 ZINC000160250864 524839991 /nfs/dbraw/zinc/83/99/91/524839991.db2.gz MRHDZPCMFBURHP-RHSMWYFYSA-N 1 0 373.478 1.899 20 70 FDIDRO CCC[C@@H]1CN(C(=O)NCCC(=O)N2CCCCC2)CC[N@@H+]1CCOC ZINC000160279134 524848141 /nfs/dbraw/zinc/84/81/41/524848141.db2.gz YDCJYTBOHRJSCE-QGZVFWFLSA-N 1 0 368.522 1.531 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cn(-c2ccccc2Cl)nn1 ZINC000160297772 524851528 /nfs/dbraw/zinc/85/15/28/524851528.db2.gz FMVZXBXYSPOZRH-CYBMUJFWSA-N 1 0 363.849 1.497 20 70 FDIDRO C[NH+](C)C1(CNC(=O)c2cc(N3CCNC3=O)ccc2F)CCOCC1 ZINC000160334470 524860042 /nfs/dbraw/zinc/86/00/42/524860042.db2.gz IRRVHLXNLRMSCW-UHFFFAOYSA-N 1 0 364.421 1.196 20 70 FDIDRO COc1ccc(Cn2cc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cn2)cc1 ZINC000160385219 524875640 /nfs/dbraw/zinc/87/56/40/524875640.db2.gz CBMUEDWSGUYJLN-SFHVURJKSA-N 1 0 372.469 1.517 20 70 FDIDRO COc1cccc(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160438158 524890388 /nfs/dbraw/zinc/89/03/88/524890388.db2.gz NWDMUOWRSKTYJZ-OALUTQOASA-N 1 0 362.470 1.958 20 70 FDIDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCc1cnn(C)c1 ZINC000160473554 524897767 /nfs/dbraw/zinc/89/77/67/524897767.db2.gz GDNOMSGZDSYHRU-UHFFFAOYSA-N 1 0 356.474 1.916 20 70 FDIDRO CCOCCOc1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160487105 524899238 /nfs/dbraw/zinc/89/92/38/524899238.db2.gz UQPORPDQERRZMC-MRXNPFEDSA-N 1 0 350.459 1.679 20 70 FDIDRO COC(=O)c1[nH]c(C)c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1C ZINC000160485100 524899667 /nfs/dbraw/zinc/89/96/67/524899667.db2.gz XWSXPMCCAHBUBI-GFCCVEGCSA-N 1 0 350.463 1.031 20 70 FDIDRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160483338 524900916 /nfs/dbraw/zinc/90/09/16/524900916.db2.gz GXYMTNZZLPVMIR-AQNXPRMDSA-N 1 0 373.497 1.662 20 70 FDIDRO Cc1oc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1S(=O)(=O)N(C)C ZINC000160516318 524905799 /nfs/dbraw/zinc/90/57/99/524905799.db2.gz PEISSTZCTWSBPC-CQSZACIVSA-N 1 0 371.503 1.689 20 70 FDIDRO Cc1cc(=O)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nn1-c1ccccc1F ZINC000160528830 524907367 /nfs/dbraw/zinc/90/73/67/524907367.db2.gz JWKMUQABUQJCGL-OKILXGFUSA-N 1 0 356.401 1.647 20 70 FDIDRO O=C(CCc1cnn(-c2ccccc2)c1)NCC1CC[NH+](CCO)CC1 ZINC000160576959 524921106 /nfs/dbraw/zinc/92/11/06/524921106.db2.gz KZWGXFXSVXPYSY-UHFFFAOYSA-N 1 0 356.470 1.625 20 70 FDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)C1 ZINC000160604764 524927088 /nfs/dbraw/zinc/92/70/88/524927088.db2.gz LZEKROUJNIPRAM-GDBMZVCRSA-N 1 0 353.488 1.118 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)C1 ZINC000160604370 524928077 /nfs/dbraw/zinc/92/80/77/524928077.db2.gz LZEKROUJNIPRAM-HOCLYGCPSA-N 1 0 353.488 1.118 20 70 FDIDRO CC(C)(C)C(=O)NCCC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160630664 524933666 /nfs/dbraw/zinc/93/36/66/524933666.db2.gz ZCBXXQUGZXURBK-SJORKVTESA-N 1 0 361.486 1.290 20 70 FDIDRO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160655768 524940613 /nfs/dbraw/zinc/94/06/13/524940613.db2.gz TUOOQTLJQXMTEP-FQEVSTJZSA-N 1 0 373.497 1.343 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000160656361 524940657 /nfs/dbraw/zinc/94/06/57/524940657.db2.gz FQRQPSJRCWEOIA-NSHDSACASA-N 1 0 372.238 1.528 20 70 FDIDRO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ncc(Cl)n1C ZINC000160688882 524949840 /nfs/dbraw/zinc/94/98/40/524949840.db2.gz HGKPUBSDLKYBTC-HNNXBMFYSA-N 1 0 363.893 1.924 20 70 FDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000160699990 524952134 /nfs/dbraw/zinc/95/21/34/524952134.db2.gz MVFYJGFGINFRCE-IBGZPJMESA-N 1 0 362.470 1.679 20 70 FDIDRO NC(=O)Nc1cccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000160714424 524956311 /nfs/dbraw/zinc/95/63/11/524956311.db2.gz CIEQQCSQKPQIPW-QZTJIDSGSA-N 1 0 368.437 1.542 20 70 FDIDRO CN(C[C@H](O)COCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160725702 524957536 /nfs/dbraw/zinc/95/75/36/524957536.db2.gz BRJZHCZAYSPVHK-MOPGFXCFSA-N 1 0 361.486 1.690 20 70 FDIDRO O=C(c1cccc(-c2nc[nH]n2)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160731909 524960002 /nfs/dbraw/zinc/96/00/02/524960002.db2.gz BPSQCYYOESZWSY-UHFFFAOYSA-N 1 0 355.442 1.656 20 70 FDIDRO CC(C)C(=O)NC[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160735321 524961034 /nfs/dbraw/zinc/96/10/34/524961034.db2.gz BFWVALRWFUANNH-SJORKVTESA-N 1 0 350.507 1.665 20 70 FDIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000160805728 524975133 /nfs/dbraw/zinc/97/51/33/524975133.db2.gz CLRRLXRRKDEIFQ-RDJZCZTQSA-N 1 0 364.490 1.036 20 70 FDIDRO CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCC[NH2+]CC1 ZINC000160845580 524982327 /nfs/dbraw/zinc/98/23/27/524982327.db2.gz JQKWXMYFTKYJEX-LSDHHAIUSA-N 1 0 368.522 1.034 20 70 FDIDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2coc(S(=O)(=O)N(C)C)c2)C1 ZINC000160853088 524983861 /nfs/dbraw/zinc/98/38/61/524983861.db2.gz NRNAONYGYLFIRO-AWEZNQCLSA-N 1 0 371.503 1.628 20 70 FDIDRO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CCC[NH2+]CC1 ZINC000160868810 524986360 /nfs/dbraw/zinc/98/63/60/524986360.db2.gz DUTFTKMJWUVDDD-GFCCVEGCSA-N 1 0 366.259 1.624 20 70 FDIDRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000160881366 524988986 /nfs/dbraw/zinc/98/89/86/524988986.db2.gz GNKJBTLQBAGHBI-LQDVMPOASA-N 1 0 363.483 1.405 20 70 FDIDRO CC(C)[NH+](CCNC(=O)N1CCn2c(nnc2C(F)(F)F)C1)C(C)C ZINC000160883065 524989190 /nfs/dbraw/zinc/98/91/90/524989190.db2.gz KWPJPEXSKSZMTJ-UHFFFAOYSA-N 1 0 362.400 1.941 20 70 FDIDRO C[NH+]1CCN(c2ccc(NS(=O)(=O)Cc3cccc(F)c3)nc2)CC1 ZINC000160921346 524996664 /nfs/dbraw/zinc/99/66/64/524996664.db2.gz CNNDQSSOWKPIGJ-UHFFFAOYSA-N 1 0 364.446 1.914 20 70 FDIDRO COc1ccc(CNC(=O)C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000160961634 525004368 /nfs/dbraw/zinc/00/43/68/525004368.db2.gz DEMUZXXGTLGIAW-UHFFFAOYSA-N 1 0 359.392 1.928 20 70 FDIDRO C[C@@H]([NH3+])C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000160997512 525012869 /nfs/dbraw/zinc/01/28/69/525012869.db2.gz OCXOCTPSSHQSSW-SECBINFHSA-N 1 0 363.277 1.465 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000161021400 525018486 /nfs/dbraw/zinc/01/84/86/525018486.db2.gz JQSXEGLCHNYMGI-UHFFFAOYSA-N 1 0 358.417 1.833 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CC1 ZINC000161071857 525027168 /nfs/dbraw/zinc/02/71/68/525027168.db2.gz HEKJZYNJDJPKMI-GOSISDBHSA-N 1 0 359.470 1.262 20 70 FDIDRO CCOC(=O)c1cnn2c1nccc2C(=O)NCCC[NH+]1CCCCCC1 ZINC000161089697 525030489 /nfs/dbraw/zinc/03/04/89/525030489.db2.gz CHQCKSLBASXTSR-UHFFFAOYSA-N 1 0 373.457 1.902 20 70 FDIDRO CC[NH+](CC)CCNC(=O)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000161117903 525037701 /nfs/dbraw/zinc/03/77/01/525037701.db2.gz FYVOLNQNIMZJRA-OAHLLOKOSA-N 1 0 355.504 1.798 20 70 FDIDRO C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1cn(-c2ccccc2)nn1 ZINC000161136073 525041655 /nfs/dbraw/zinc/04/16/55/525041655.db2.gz YOLOSMAAKFHMHQ-HNNXBMFYSA-N 1 0 372.473 1.738 20 70 FDIDRO CCCCN(C)S(=O)(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000161135262 525041834 /nfs/dbraw/zinc/04/18/34/525041834.db2.gz MRIIDQJCCRJLFJ-UHFFFAOYSA-N 1 0 369.531 1.710 20 70 FDIDRO CC(=O)N[C@H](CC(=O)NC[C@@H](C1CC1)[NH+](C)C)c1ccc(F)cc1F ZINC000161161443 525046387 /nfs/dbraw/zinc/04/63/87/525046387.db2.gz JKFVKWZXKRZXQA-SJORKVTESA-N 1 0 353.413 1.989 20 70 FDIDRO CCC[C@H]([NH3+])C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000161173541 525047984 /nfs/dbraw/zinc/04/79/84/525047984.db2.gz GRQXTXLCNMGGEZ-INIZCTEOSA-N 1 0 353.488 1.224 20 70 FDIDRO CCc1nc(-c2ccccc2NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)n[nH]1 ZINC000161179967 525049476 /nfs/dbraw/zinc/04/94/76/525049476.db2.gz MEHANZFZBLRRAA-ZDUSSCGKSA-N 1 0 370.457 1.383 20 70 FDIDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1 ZINC000161260266 525066394 /nfs/dbraw/zinc/06/63/94/525066394.db2.gz QEBONASBCDEXKK-VXGBXAGGSA-N 1 0 353.825 1.900 20 70 FDIDRO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161350494 525087296 /nfs/dbraw/zinc/08/72/96/525087296.db2.gz DHPHKSUDYJNELU-RDJZCZTQSA-N 1 0 359.474 1.608 20 70 FDIDRO CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161358613 525088549 /nfs/dbraw/zinc/08/85/49/525088549.db2.gz QXDTWUIGQNLTDK-KRWDZBQOSA-N 1 0 360.458 1.148 20 70 FDIDRO O=S(=O)(NCC[NH2+]C1CCC2(CC1)OCCO2)c1cccc(Cl)c1 ZINC000161368594 525094155 /nfs/dbraw/zinc/09/41/55/525094155.db2.gz VQJCCCRLHFLHOG-UHFFFAOYSA-N 1 0 374.890 1.894 20 70 FDIDRO CC(=O)NC1CCC([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000161384379 525097774 /nfs/dbraw/zinc/09/77/74/525097774.db2.gz SKPLDOMXFPSPNJ-UHFFFAOYSA-N 1 0 372.513 1.762 20 70 FDIDRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2cc(F)cc(F)c2)CC1 ZINC000161460318 525113919 /nfs/dbraw/zinc/11/39/19/525113919.db2.gz DQRBZZWMROWNTC-LBPRGKRZSA-N 1 0 362.442 1.678 20 70 FDIDRO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161493121 525117129 /nfs/dbraw/zinc/11/71/29/525117129.db2.gz LTJJLOFABMDJAX-GFCCVEGCSA-N 1 0 358.255 1.875 20 70 FDIDRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cncc(Br)c1 ZINC000217349665 178269857 /nfs/dbraw/zinc/26/98/57/178269857.db2.gz WOTTVPVSPRSLTJ-OLZOCXBDSA-N 1 0 360.277 1.749 20 70 FDIDRO C[NH+](C)C1(CNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CCOCC1 ZINC000159546280 173681038 /nfs/dbraw/zinc/68/10/38/173681038.db2.gz HDZFQUSQCATWCI-LLVKDONJSA-N 1 0 374.407 1.760 20 70 FDIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000159635268 173683442 /nfs/dbraw/zinc/68/34/42/173683442.db2.gz WUZODSRWBMAIEC-UHFFFAOYSA-N 1 0 372.469 1.781 20 70 FDIDRO CCS(=O)(=O)N1CCC(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000159718892 173686786 /nfs/dbraw/zinc/68/67/86/173686786.db2.gz INZWOQIVONZWGV-UHFFFAOYSA-N 1 0 359.536 1.477 20 70 FDIDRO Cc1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1S(N)(=O)=O ZINC000160392486 173709564 /nfs/dbraw/zinc/70/95/64/173709564.db2.gz MAFUNSLORYWORZ-UHFFFAOYSA-N 1 0 368.503 1.884 20 70 FDIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)CC1 ZINC000161118234 517666801 /nfs/dbraw/zinc/66/68/01/517666801.db2.gz NOUWDKFEVVUCLP-UHFFFAOYSA-N 1 0 367.515 1.835 20 70 FDIDRO CCOc1ccc(OCCN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000159369281 524654352 /nfs/dbraw/zinc/65/43/52/524654352.db2.gz QSWFUMGPWOCXGI-LJQANCHMSA-N 1 0 361.486 1.878 20 70 FDIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000159364422 524654595 /nfs/dbraw/zinc/65/45/95/524654595.db2.gz JXDKZAOOTLEHRP-NEPJUHHUSA-N 1 0 353.369 1.652 20 70 FDIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000159375520 524656057 /nfs/dbraw/zinc/65/60/57/524656057.db2.gz NSOYAQDJDUVWJK-CYBMUJFWSA-N 1 0 361.471 1.712 20 70 FDIDRO O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159373863 524656769 /nfs/dbraw/zinc/65/67/69/524656769.db2.gz GXPBEGOFICKOGD-IBGZPJMESA-N 1 0 371.462 1.561 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)C1 ZINC000159385328 524658120 /nfs/dbraw/zinc/65/81/20/524658120.db2.gz MXTMKLPBBLOLDL-HNNXBMFYSA-N 1 0 370.457 1.300 20 70 FDIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000159402908 524661765 /nfs/dbraw/zinc/66/17/65/524661765.db2.gz RFCALJSCCKJHRW-GOSISDBHSA-N 1 0 362.518 1.334 20 70 FDIDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159424637 524665415 /nfs/dbraw/zinc/66/54/15/524665415.db2.gz HLSMAUXEEMBYEC-JKSUJKDBSA-N 1 0 365.478 1.494 20 70 FDIDRO C[N@H+](CCNC(=O)NCC1(CO)CCOCC1)Cc1ccc(F)cc1 ZINC000159436727 524670014 /nfs/dbraw/zinc/67/00/14/524670014.db2.gz AUWZDLUDIFPCGQ-UHFFFAOYSA-N 1 0 353.438 1.346 20 70 FDIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159439486 524670483 /nfs/dbraw/zinc/67/04/83/524670483.db2.gz NTJHRQRSALOFAC-NWDGAFQWSA-N 1 0 373.423 1.286 20 70 FDIDRO COc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000159444374 524671293 /nfs/dbraw/zinc/67/12/93/524671293.db2.gz GHOYRFDFNHZQDV-ZDUSSCGKSA-N 1 0 351.422 1.867 20 70 FDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccnc2OC(C)C)C1 ZINC000159457369 524675153 /nfs/dbraw/zinc/67/51/53/524675153.db2.gz YODXJFCWOYMNKA-OAHLLOKOSA-N 1 0 362.474 1.901 20 70 FDIDRO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159563703 524697432 /nfs/dbraw/zinc/69/74/32/524697432.db2.gz OQPNGKMOYLGFAX-UHFFFAOYSA-N 1 0 365.499 1.827 20 70 FDIDRO COc1cc2c(cc1OC)CN(C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O)CC2 ZINC000159598719 524705931 /nfs/dbraw/zinc/70/59/31/524705931.db2.gz DXXDKFWJMMILSH-WBVHZDCISA-N 1 0 362.470 1.681 20 70 FDIDRO C[NH+](C)Cc1cc(CNC(=O)c2coc(S(N)(=O)=O)c2)ccc1F ZINC000159635686 524713366 /nfs/dbraw/zinc/71/33/66/524713366.db2.gz OMCQAFQRHHAAAH-UHFFFAOYSA-N 1 0 355.391 1.058 20 70 FDIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000159664278 524717005 /nfs/dbraw/zinc/71/70/05/524717005.db2.gz BWQWCKKASYZWQZ-PBHICJAKSA-N 1 0 367.515 1.470 20 70 FDIDRO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCC1([NH3+])CCCCC1)C2=O ZINC000159668816 524717473 /nfs/dbraw/zinc/71/74/73/524717473.db2.gz HZECWQITMKHIOG-UGSOOPFHSA-N 1 0 350.463 1.265 20 70 FDIDRO C[N@@H+](CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)C[C@H]1CCC[C@@H]1O ZINC000159718672 524727582 /nfs/dbraw/zinc/72/75/82/524727582.db2.gz WBNULTZPIHKUHJ-AEFFLSMTSA-N 1 0 374.485 1.456 20 70 FDIDRO COC(=O)C[C@H]1C(=O)NCCN1Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000159801858 524740898 /nfs/dbraw/zinc/74/08/98/524740898.db2.gz XOWNJVALDPZWSR-ZDUSSCGKSA-N 1 0 356.369 1.768 20 70 FDIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000159808937 524743697 /nfs/dbraw/zinc/74/36/97/524743697.db2.gz OBCOCCCBOFKYKW-LBPRGKRZSA-N 1 0 352.401 1.521 20 70 FDIDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(C2CCOCC2)CC1 ZINC000159853409 524753044 /nfs/dbraw/zinc/75/30/44/524753044.db2.gz WGSVGEZYGFKLBF-MRXNPFEDSA-N 1 0 352.523 1.471 20 70 FDIDRO CN(C(=O)CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000159905607 524763956 /nfs/dbraw/zinc/76/39/56/524763956.db2.gz YBLVERCCNIYLJW-QGZVFWFLSA-N 1 0 373.501 1.063 20 70 FDIDRO O=C(CCC(=O)c1ccc(F)c(F)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159905303 524765109 /nfs/dbraw/zinc/76/51/09/524765109.db2.gz XOTCNIMJUCKDDF-AWEZNQCLSA-N 1 0 354.397 1.891 20 70 FDIDRO CC(C)([NH3+])CNC(=O)c1cccn2c(I)cnc12 ZINC000159948140 524775338 /nfs/dbraw/zinc/77/53/38/524775338.db2.gz PSLSGMPOIAEDRK-UHFFFAOYSA-N 1 0 358.183 1.406 20 70 FDIDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000159988291 524782132 /nfs/dbraw/zinc/78/21/32/524782132.db2.gz WDRNCPNQEWSOQP-CQSZACIVSA-N 1 0 361.490 1.207 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000160022429 524791316 /nfs/dbraw/zinc/79/13/16/524791316.db2.gz VXSAGVNQVCBUGB-INIZCTEOSA-N 1 0 355.438 1.619 20 70 FDIDRO CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[NH3+])CC2)cc1 ZINC000160025409 524793157 /nfs/dbraw/zinc/79/31/57/524793157.db2.gz JWADJUCUSAYSKJ-UHFFFAOYSA-N 1 0 367.515 1.676 20 70 FDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000160045160 524797828 /nfs/dbraw/zinc/79/78/28/524797828.db2.gz QRWBQRCAAAXILW-RBUKOAKNSA-N 1 0 373.497 1.502 20 70 FDIDRO C[C@H](CNC(=O)CCN1c2ccccc2CCC1=O)C[NH+]1CCN(C)CC1 ZINC000160106530 524810950 /nfs/dbraw/zinc/81/09/50/524810950.db2.gz SDIRHZGKDGMJRS-QGZVFWFLSA-N 1 0 372.513 1.356 20 70 FDIDRO O=C(N[C@@H](Cc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccco1 ZINC000160124194 524814231 /nfs/dbraw/zinc/81/42/31/524814231.db2.gz KQPLHJFOYPUIBM-KSZLIROESA-N 1 0 367.449 1.974 20 70 FDIDRO CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160129359 524816815 /nfs/dbraw/zinc/81/68/15/524816815.db2.gz SWNMZRPHNSLXRF-IXDOHACOSA-N 1 0 361.511 1.891 20 70 FDIDRO CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160138229 524818501 /nfs/dbraw/zinc/81/85/01/524818501.db2.gz YZUJPVCDFBUZAC-IBGZPJMESA-N 1 0 373.497 1.846 20 70 FDIDRO Cc1[nH]c(=O)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1-c1ccccc1 ZINC000160182504 524825447 /nfs/dbraw/zinc/82/54/47/524825447.db2.gz KJVYPABVRMAJDZ-KRWDZBQOSA-N 1 0 369.465 1.927 20 70 FDIDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C[C@H](C)O)C(C)C)cn2)CC1 ZINC000160186446 524827185 /nfs/dbraw/zinc/82/71/85/524827185.db2.gz VTEQFRHQOOTQGR-INIZCTEOSA-N 1 0 363.506 1.524 20 70 FDIDRO Cc1noc2nc(C3CC3)cc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)c12 ZINC000160251154 524841757 /nfs/dbraw/zinc/84/17/57/524841757.db2.gz VWCLSJNDOUIODJ-AWEZNQCLSA-N 1 0 358.442 1.985 20 70 FDIDRO COCCc1noc(CN(C)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000160268342 524844814 /nfs/dbraw/zinc/84/48/14/524844814.db2.gz SUVBFOAWTFANPJ-KGLIPLIRSA-N 1 0 353.467 1.520 20 70 FDIDRO CCc1c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)[nH]c(C)c1C(N)=O ZINC000160270396 524846387 /nfs/dbraw/zinc/84/63/87/524846387.db2.gz VXZHVIOQXYRXGX-RYUDHWBXSA-N 1 0 350.463 1.214 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000160314135 524856510 /nfs/dbraw/zinc/85/65/10/524856510.db2.gz VPIBZWOFYKEPMZ-PKOBYXMFSA-N 1 0 362.470 1.821 20 70 FDIDRO O=C(CNC(=O)c1cccs1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160339546 524863040 /nfs/dbraw/zinc/86/30/40/524863040.db2.gz FDWWXJNKVXUXMS-LSDHHAIUSA-N 1 0 365.499 1.362 20 70 FDIDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160354628 524867068 /nfs/dbraw/zinc/86/70/68/524867068.db2.gz LGLWWMJSHDKORU-IRXDYDNUSA-N 1 0 366.506 1.140 20 70 FDIDRO O=C(CNC(=O)c1cccc(Br)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160362520 524869522 /nfs/dbraw/zinc/86/95/22/524869522.db2.gz MXRPGBQKDDMXCA-OKILXGFUSA-N 1 0 366.259 1.532 20 70 FDIDRO CCc1noc(C)c1NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000160400204 524878171 /nfs/dbraw/zinc/87/81/71/524878171.db2.gz HVVPCGXOVXKRQG-UHFFFAOYSA-N 1 0 374.441 1.741 20 70 FDIDRO CC(C)CNC(=O)N1CCC[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000160503838 524904928 /nfs/dbraw/zinc/90/49/28/524904928.db2.gz YYSXPHSONVDCAG-IAGOWNOFSA-N 1 0 368.522 1.027 20 70 FDIDRO COc1cc(C(=O)NCC2CC[NH+](CCO)CC2)ccc1OC(C)C ZINC000160551878 524913659 /nfs/dbraw/zinc/91/36/59/524913659.db2.gz OCNJBEZJNJXUMW-UHFFFAOYSA-N 1 0 350.459 1.917 20 70 FDIDRO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCc3nc(COC)nn3C2)CC1 ZINC000160575931 524921189 /nfs/dbraw/zinc/92/11/89/524921189.db2.gz YVZJEQYBSAMOST-AWEZNQCLSA-N 1 0 364.494 1.255 20 70 FDIDRO CC[N@@H+]1CC[C@@H](CNC(=O)CCc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000160664847 524942605 /nfs/dbraw/zinc/94/26/05/524942605.db2.gz RJEDWSVKGQRZNM-INIZCTEOSA-N 1 0 352.500 1.871 20 70 FDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000160665140 524943000 /nfs/dbraw/zinc/94/30/00/524943000.db2.gz FXZGEXMKMVYXKU-MOPGFXCFSA-N 1 0 373.497 1.041 20 70 FDIDRO O=C(CSCc1cc(=O)n2ccsc2n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160677045 524945390 /nfs/dbraw/zinc/94/53/90/524945390.db2.gz PKGANFAFMQBZGG-TXEJJXNPSA-N 1 0 364.496 1.342 20 70 FDIDRO CCCS(=O)(=O)Nc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160679063 524946647 /nfs/dbraw/zinc/94/66/47/524946647.db2.gz PGLQVHAIEVMZAB-IYBDPMFKSA-N 1 0 351.472 1.805 20 70 FDIDRO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cnn1Cc1ccccc1 ZINC000160692405 524949601 /nfs/dbraw/zinc/94/96/01/524949601.db2.gz BVODEWWJBLHLQH-GOSISDBHSA-N 1 0 356.470 1.816 20 70 FDIDRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160721402 524955712 /nfs/dbraw/zinc/95/57/12/524955712.db2.gz LHAMLEXTNMGBJZ-FPMFFAJLSA-N 1 0 371.890 1.360 20 70 FDIDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1 ZINC000160736454 524959365 /nfs/dbraw/zinc/95/93/65/524959365.db2.gz JWGXXUPZXDSLJH-HUUCEWRRSA-N 1 0 364.494 1.113 20 70 FDIDRO C[NH2+][C@H]1CCN(C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)C1 ZINC000160775291 524968653 /nfs/dbraw/zinc/96/86/53/524968653.db2.gz DSGZCNBPMAWKJF-NSHDSACASA-N 1 0 370.379 1.513 20 70 FDIDRO CCOC(=O)c1c(C)oc2nc(CN3CCC[N@H+](CC)CC3)nc(N)c21 ZINC000160840489 524981044 /nfs/dbraw/zinc/98/10/44/524981044.db2.gz USCAQGMEBCYCSQ-UHFFFAOYSA-N 1 0 361.446 1.818 20 70 FDIDRO Cn1cc(CN2CCCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)cn1 ZINC000160854320 524983609 /nfs/dbraw/zinc/98/36/09/524983609.db2.gz FEFKKPUEBTZBAO-GOSISDBHSA-N 1 0 374.533 1.654 20 70 FDIDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)N(C)CC(=O)NC1CC1 ZINC000160857134 524984046 /nfs/dbraw/zinc/98/40/46/524984046.db2.gz NMGUCXCYSSGSLR-LSDHHAIUSA-N 1 0 369.469 1.648 20 70 FDIDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000160864585 524985092 /nfs/dbraw/zinc/98/50/92/524985092.db2.gz WHWAHYIEWZXCEG-XEZPLFJOSA-N 1 0 356.463 1.806 20 70 FDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000160903336 524992499 /nfs/dbraw/zinc/99/24/99/524992499.db2.gz SHRONYICZQSJTO-INIZCTEOSA-N 1 0 361.490 1.359 20 70 FDIDRO COC(=O)[C@H](C)CS(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160964494 525004103 /nfs/dbraw/zinc/00/41/03/525004103.db2.gz KIDMZUUVIKKMKO-QQFBHYJXSA-N 1 0 360.520 1.758 20 70 FDIDRO O[C@H](CN1CCOCC1)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161060361 525023772 /nfs/dbraw/zinc/02/37/72/525023772.db2.gz VMQHDMDAUYPVNN-BRWVUGGUSA-N 1 0 374.403 1.506 20 70 FDIDRO COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000161124054 525039977 /nfs/dbraw/zinc/03/99/77/525039977.db2.gz QGXXYOJNJLJIDQ-HIFRSBDPSA-N 1 0 362.478 1.576 20 70 FDIDRO O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000161154791 525046487 /nfs/dbraw/zinc/04/64/87/525046487.db2.gz VJJGCQYRLDJQBO-IAGOWNOFSA-N 1 0 360.506 1.891 20 70 FDIDRO Cc1c(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cnn1-c1ccccc1F ZINC000161188897 525050436 /nfs/dbraw/zinc/05/04/36/525050436.db2.gz BELSRHDDCDPPPH-CQSZACIVSA-N 1 0 373.432 1.668 20 70 FDIDRO CCN(C(=O)NCCCn1ccnn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161225467 525059448 /nfs/dbraw/zinc/05/94/48/525059448.db2.gz KPBISLCTLHVXGC-SFHVURJKSA-N 1 0 356.474 1.974 20 70 FDIDRO CCO[C@H]1C[C@H](O)C12CCN(C(=O)NC1CC[NH+](C(C)C)CC1)CC2 ZINC000161229206 525060712 /nfs/dbraw/zinc/06/07/12/525060712.db2.gz UGSUGJBUIVURHK-IRXDYDNUSA-N 1 0 353.507 1.821 20 70 FDIDRO CC(C)[NH+]1CCC(NC(=O)N(C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000161246161 525064048 /nfs/dbraw/zinc/06/40/48/525064048.db2.gz COSGKLHXBVVJRV-UHFFFAOYSA-N 1 0 372.469 1.797 20 70 FDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000161307216 525078622 /nfs/dbraw/zinc/07/86/22/525078622.db2.gz OKBSZXMDOSVKNW-AEFFLSMTSA-N 1 0 361.461 1.817 20 70 FDIDRO O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000161319228 525079813 /nfs/dbraw/zinc/07/98/13/525079813.db2.gz MDQQDJFCWAITHD-QGZVFWFLSA-N 1 0 358.486 1.812 20 70 FDIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000161334410 525083992 /nfs/dbraw/zinc/08/39/92/525083992.db2.gz CQJDJBFIOUBBJK-GUYCJALGSA-N 1 0 358.417 1.830 20 70 FDIDRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000161466007 525114842 /nfs/dbraw/zinc/11/48/42/525114842.db2.gz HFSOSXKBJUEWQT-LBPRGKRZSA-N 1 0 362.442 1.678 20 70 FDIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161480338 525115777 /nfs/dbraw/zinc/11/57/77/525115777.db2.gz WSHJAKKFRLIJQQ-ZIAGYGMSSA-N 1 0 355.504 1.892 20 70 FDIDRO