smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCCCC4)nc(N4CCCCC4)[nH+]3)CC2)cc1 ZINC000000661172 551516018 /nfs/dbraw/zinc/51/60/18/551516018.db2.gz JXRBGOJDKPTSPE-UHFFFAOYSA-N 1 2 528.683 2.322 50 0 KEAALO CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCCCC4)[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000000661172 551516014 /nfs/dbraw/zinc/51/60/14/551516014.db2.gz JXRBGOJDKPTSPE-UHFFFAOYSA-N 1 2 528.683 2.322 50 0 KEAALO CCn1cc(C(=O)N2CC[C@H]3C[C@@H]2Cn2c(=O)cccc23)c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21 ZINC000001323044 551642042 /nfs/dbraw/zinc/64/20/42/551642042.db2.gz FRAAUNSBDSLMFP-RBUKOAKNSA-N 1 2 505.594 2.476 50 0 biogenic KEAALO COc1cc(C[C@@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O ZINC000002095693 551761436 /nfs/dbraw/zinc/76/14/36/551761436.db2.gz JSEBBAKNTGQLMM-PHKGMDLESA-N 1 2 542.592 2.494 50 0 biogenic KEAALO COc1cc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O ZINC000002095693 551761435 /nfs/dbraw/zinc/76/14/35/551761435.db2.gz JSEBBAKNTGQLMM-PHKGMDLESA-N 1 2 542.592 2.494 50 0 biogenic KEAALO COc1cc(C[C@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O ZINC000002095695 551761481 /nfs/dbraw/zinc/76/14/81/551761481.db2.gz JSEBBAKNTGQLMM-QPPRZBLKSA-N 1 2 542.592 2.494 50 0 biogenic KEAALO COc1cc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O ZINC000002095695 551761480 /nfs/dbraw/zinc/76/14/80/551761480.db2.gz JSEBBAKNTGQLMM-QPPRZBLKSA-N 1 2 542.592 2.494 50 0 biogenic KEAALO O=S(=O)(c1cc(Br)ccc1Br)N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000002630950 552139759 /nfs/dbraw/zinc/13/97/59/552139759.db2.gz SKSXKOGLNLAARQ-JKSUJKDBSA-N 1 2 542.290 2.074 50 0 KEAALO O=S(=O)(c1cc(Br)ccc1Br)N1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000002630951 552139646 /nfs/dbraw/zinc/13/96/46/552139646.db2.gz SKSXKOGLNLAARQ-HZPDHXFCSA-N 1 2 542.290 2.074 50 0 KEAALO O=S(=O)(c1cc(Br)ccc1Br)N1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000002630952 552139727 /nfs/dbraw/zinc/13/97/27/552139727.db2.gz SKSXKOGLNLAARQ-HOTGVXAUSA-N 1 2 542.290 2.074 50 0 KEAALO O=S(=O)(c1cc(Br)ccc1Br)N1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000002630953 552139639 /nfs/dbraw/zinc/13/96/39/552139639.db2.gz SKSXKOGLNLAARQ-CVEARBPZSA-N 1 2 542.290 2.074 50 0 KEAALO COc1ccc(CCn2c(=O)[nH]c3cc(C(=O)N4CCN(c5cccc[nH+]5)CC4)ccc3c2=O)cc1OC ZINC000002952771 552229942 /nfs/dbraw/zinc/22/99/42/552229942.db2.gz VLBDYKQXPJZPNL-UHFFFAOYSA-N 1 2 515.570 2.307 50 0 KEAALO CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCn2cc[nH+]c2)c2ccccc21 ZINC000003767793 552415154 /nfs/dbraw/zinc/41/51/54/552415154.db2.gz JIDFDMHYHBCEKG-QJOMJCCJSA-N 1 2 520.615 2.470 50 0 KEAALO CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(N)=O ZINC000004066726 552432641 /nfs/dbraw/zinc/43/26/41/552432641.db2.gz UDQCJOWXMPDCJZ-XFCANUNOSA-N 1 2 741.846 2.455 50 0 KEAALO CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(N)=O ZINC000004066726 552432640 /nfs/dbraw/zinc/43/26/40/552432640.db2.gz UDQCJOWXMPDCJZ-XFCANUNOSA-N 1 2 741.846 2.455 50 0 KEAALO CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(N)=O ZINC000004066728 552432686 /nfs/dbraw/zinc/43/26/86/552432686.db2.gz UDQCJOWXMPDCJZ-WIHCDAFUSA-N 1 2 741.846 2.455 50 0 KEAALO CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(N)=O ZINC000004066728 552432684 /nfs/dbraw/zinc/43/26/84/552432684.db2.gz UDQCJOWXMPDCJZ-WIHCDAFUSA-N 1 2 741.846 2.455 50 0 KEAALO COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCC[NH+]4CCN(c5ccccc5F)CC4)ccc3c2=O)cc1 ZINC000004766621 552480509 /nfs/dbraw/zinc/48/05/09/552480509.db2.gz VGFZGXYONMTGFO-UHFFFAOYSA-N 1 2 531.588 2.438 50 0 KEAALO CC[N@@H+](CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ncccn4)CC3)c2c1=O)c1cccc(C)c1 ZINC000004787474 552482435 /nfs/dbraw/zinc/48/24/35/552482435.db2.gz KFDXAJGXJJFSDK-UHFFFAOYSA-N 1 2 624.793 2.409 50 0 KEAALO CC[N@H+](CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ncccn4)CC3)c2c1=O)c1cccc(C)c1 ZINC000004787474 552482433 /nfs/dbraw/zinc/48/24/33/552482433.db2.gz KFDXAJGXJJFSDK-UHFFFAOYSA-N 1 2 624.793 2.409 50 0 KEAALO COc1ccc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)cc1S(=O)(=O)N1CCOCC1 ZINC000006134382 552537060 /nfs/dbraw/zinc/53/70/60/552537060.db2.gz GVZANTRLVDEAHT-UHFFFAOYSA-N 1 2 509.382 2.056 50 0 KEAALO COc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc2ncc(C(=O)NCCC[NH+]3CCOCC3)c(O)c2c1 ZINC000006181291 552561685 /nfs/dbraw/zinc/56/16/85/552561685.db2.gz IVFZXVQQQCNGLO-UHFFFAOYSA-N 1 2 549.049 2.467 50 0 KEAALO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@H+](C)C3)cc1 ZINC000008583056 553078541 /nfs/dbraw/zinc/07/85/41/553078541.db2.gz SNKKSPCLEOYEEE-UHFFFAOYSA-N 1 2 525.649 2.058 50 0 KEAALO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@@H+](C)C3)cc1 ZINC000008583056 553078538 /nfs/dbraw/zinc/07/85/38/553078538.db2.gz SNKKSPCLEOYEEE-UHFFFAOYSA-N 1 2 525.649 2.058 50 0 KEAALO COc1ccccc1C(=O)N/C(=C\c1cn(S(=O)(=O)N(C)C)c2ccccc12)C(=O)NCCCn1cc[nH+]c1 ZINC000008606492 553098492 /nfs/dbraw/zinc/09/84/92/553098492.db2.gz MYGTZKVUJSDTJC-QJOMJCCJSA-N 1 2 550.641 2.478 50 0 KEAALO COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000008606493 553098477 /nfs/dbraw/zinc/09/84/77/553098477.db2.gz ICKPGBLENQRULF-ULJHMMPZSA-N 1 2 550.641 2.478 50 0 KEAALO O=c1cc(CSc2nnnn2-c2ccccc2)nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[nH]1 ZINC000008758039 553137021 /nfs/dbraw/zinc/13/70/21/553137021.db2.gz YVAZYTKADZFLCC-UHFFFAOYSA-N 1 2 504.576 2.089 50 0 KEAALO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1)c1cccc(C)c1 ZINC000009152366 553214498 /nfs/dbraw/zinc/21/44/98/553214498.db2.gz PCSKHHLODGCFGB-JOCHJYFZSA-N 1 2 508.685 2.123 50 0 KEAALO CC[N@H+](CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1)c1cccc(C)c1 ZINC000009152366 553214495 /nfs/dbraw/zinc/21/44/95/553214495.db2.gz PCSKHHLODGCFGB-JOCHJYFZSA-N 1 2 508.685 2.123 50 0 KEAALO CC[N@@H+](CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1)c1cccc(C)c1 ZINC000009152367 553214533 /nfs/dbraw/zinc/21/45/33/553214533.db2.gz PCSKHHLODGCFGB-QFIPXVFZSA-N 1 2 508.685 2.123 50 0 KEAALO CC[N@H+](CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1)c1cccc(C)c1 ZINC000009152367 553214530 /nfs/dbraw/zinc/21/45/30/553214530.db2.gz PCSKHHLODGCFGB-QFIPXVFZSA-N 1 2 508.685 2.123 50 0 KEAALO CCn1cc(C(=O)N[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C(C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000009306038 553236982 /nfs/dbraw/zinc/23/69/82/553236982.db2.gz PVKWEHOODJWSGQ-DEOSSOPVSA-N 1 2 505.575 2.248 50 0 KEAALO Cc1ccc(NC(=O)C[N@H+]2CCc3cc4c(cc3C2)OCCCO4)cc1S(=O)(=O)N1CCOCC1 ZINC000009348683 553244849 /nfs/dbraw/zinc/24/48/49/553244849.db2.gz FKKIIYMVLHCIPO-UHFFFAOYSA-N 1 2 501.605 2.174 50 0 KEAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3cc4c(cc3C2)OCCCO4)cc1S(=O)(=O)N1CCOCC1 ZINC000009348683 553244847 /nfs/dbraw/zinc/24/48/47/553244847.db2.gz FKKIIYMVLHCIPO-UHFFFAOYSA-N 1 2 501.605 2.174 50 0 KEAALO CCn1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCn2cc[nH+]c2)c(=O)c2cc3c(cc21)OCO3 ZINC000009410878 553257493 /nfs/dbraw/zinc/25/74/93/553257493.db2.gz RDYSMKSDOUUNFG-QFIPXVFZSA-N 1 2 515.570 2.494 50 0 KEAALO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CCN(c2cccc[nH+]2)CC1 ZINC000009611398 553289079 /nfs/dbraw/zinc/28/90/79/553289079.db2.gz PRQSYXXXXZAYIU-DEOSSOPVSA-N 1 2 519.627 2.205 50 0 KEAALO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CCN(c2cccc[nH+]2)CC1 ZINC000009611399 553289060 /nfs/dbraw/zinc/28/90/60/553289060.db2.gz PRQSYXXXXZAYIU-XMMPIXPASA-N 1 2 519.627 2.205 50 0 KEAALO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)COC4)[N@@H+](C/C=C/c3ccco3)C2)c1C(=O)OC ZINC000012133233 553351687 /nfs/dbraw/zinc/35/16/87/553351687.db2.gz ZPOYMZPUQRKYPU-UEDNFGOZSA-N 1 2 521.530 2.442 50 0 KEAALO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)COC4)[N@H+](C/C=C/c3ccco3)C2)c1C(=O)OC ZINC000012133233 553351685 /nfs/dbraw/zinc/35/16/85/553351685.db2.gz ZPOYMZPUQRKYPU-UEDNFGOZSA-N 1 2 521.530 2.442 50 0 KEAALO C/C=C(\C)C[N@H+]1C[C@@H](n2nnc(C(=O)OC)c2C(=O)OC)C[C@H]1C(=O)NCc1ccc2ccccc2n1 ZINC000012247923 1066359790 /nfs/dbraw/zinc/35/97/90/1066359790.db2.gz HAOUJAVPFRKXAS-DCUAIRSBSA-N 1 2 506.563 2.298 50 0 KEAALO C/C=C(\C)C[N@@H+]1C[C@@H](n2nnc(C(=O)OC)c2C(=O)OC)C[C@H]1C(=O)NCc1ccc2ccccc2n1 ZINC000012247923 1066359773 /nfs/dbraw/zinc/35/97/73/1066359773.db2.gz HAOUJAVPFRKXAS-DCUAIRSBSA-N 1 2 506.563 2.298 50 0 KEAALO COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000012469600 553367967 /nfs/dbraw/zinc/36/79/67/553367967.db2.gz GLWWOKLSGFQIMR-QFIPXVFZSA-N 1 2 526.615 2.145 50 0 KEAALO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[NH+](C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000012532507 553386780 /nfs/dbraw/zinc/38/67/80/553386780.db2.gz OVSFZEBIELWDGL-GOSISDBHSA-N 1 2 502.511 2.318 50 0 KEAALO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[NH+](C[C@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000012532509 553386790 /nfs/dbraw/zinc/38/67/90/553386790.db2.gz OVSFZEBIELWDGL-SFHVURJKSA-N 1 2 502.511 2.318 50 0 KEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(SCC(=O)N3c4ccccc4NC(=O)C34CCCC4)nc2)CC1 ZINC000012543784 553391221 /nfs/dbraw/zinc/39/12/21/553391221.db2.gz DOWQAYJQLQYLTL-UHFFFAOYSA-N 1 2 515.661 2.408 50 0 KEAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012608632 553402375 /nfs/dbraw/zinc/40/23/75/553402375.db2.gz JXXFGMVNGIGLOD-UHFFFAOYSA-N 1 2 512.554 2.487 50 0 KEAALO CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000012653388 553410151 /nfs/dbraw/zinc/41/01/51/553410151.db2.gz VYBNFAIXPSLVAA-QHCPKHFHSA-N 1 2 512.010 2.020 50 0 KEAALO CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000012653393 553410160 /nfs/dbraw/zinc/41/01/60/553410160.db2.gz VYBNFAIXPSLVAA-HSZRJFAPSA-N 1 2 512.010 2.020 50 0 KEAALO O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000013007235 553432217 /nfs/dbraw/zinc/43/22/17/553432217.db2.gz IUUZYSKEVBOQAJ-QGZVFWFLSA-N 1 2 502.456 2.369 50 0 KEAALO O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000013007236 553432289 /nfs/dbraw/zinc/43/22/89/553432289.db2.gz IUUZYSKEVBOQAJ-KRWDZBQOSA-N 1 2 502.456 2.369 50 0 KEAALO CCCN(C(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000013009925 553432456 /nfs/dbraw/zinc/43/24/56/553432456.db2.gz DQTVLCZQOSFPMB-HSZRJFAPSA-N 1 2 519.689 2.232 50 0 KEAALO CCCN(C(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000013009927 553432419 /nfs/dbraw/zinc/43/24/19/553432419.db2.gz DQTVLCZQOSFPMB-QHCPKHFHSA-N 1 2 519.689 2.232 50 0 KEAALO CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000013013581 553432601 /nfs/dbraw/zinc/43/26/01/553432601.db2.gz XRKQGJVOWUSEFC-XMMPIXPASA-N 1 2 533.716 2.478 50 0 KEAALO CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000013013584 553432651 /nfs/dbraw/zinc/43/26/51/553432651.db2.gz XRKQGJVOWUSEFC-DEOSSOPVSA-N 1 2 533.716 2.478 50 0 KEAALO O=C(CSc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1)NC(=O)NC1CCCC1 ZINC000013095916 553446132 /nfs/dbraw/zinc/44/61/32/553446132.db2.gz GMDBKKVTDKAWIM-UHFFFAOYSA-N 1 2 517.677 2.449 50 0 KEAALO Cc1cccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000013636506 553478842 /nfs/dbraw/zinc/47/88/42/553478842.db2.gz IOCBYBLGXLQTLJ-QFIPXVFZSA-N 1 2 517.552 2.492 50 0 KEAALO Cc1cccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000013636509 553478900 /nfs/dbraw/zinc/47/89/00/553478900.db2.gz IOCBYBLGXLQTLJ-JOCHJYFZSA-N 1 2 517.552 2.492 50 0 KEAALO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1 ZINC000013636512 553478830 /nfs/dbraw/zinc/47/88/30/553478830.db2.gz FNHBVLQCEXEAME-NRFANRHFSA-N 1 2 521.515 2.322 50 0 KEAALO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1 ZINC000013636515 553478880 /nfs/dbraw/zinc/47/88/80/553478880.db2.gz FNHBVLQCEXEAME-OAQYLSRUSA-N 1 2 521.515 2.322 50 0 KEAALO O=C(C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)n1cc[nH+]c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000014067070 553499450 /nfs/dbraw/zinc/49/94/50/553499450.db2.gz SJWNIRHHJXRQDQ-MHZLTWQESA-N 1 2 528.657 2.442 50 0 KEAALO O=C(C[C@H](C(=O)N1CCN(c2ccccc2)CC1)n1cc[nH+]c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000014067075 553499499 /nfs/dbraw/zinc/49/94/99/553499499.db2.gz SJWNIRHHJXRQDQ-HHHXNRCGSA-N 1 2 528.657 2.442 50 0 KEAALO CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)CC1 ZINC000014359731 553513593 /nfs/dbraw/zinc/51/35/93/553513593.db2.gz LDRXGLGAEBELHG-UHFFFAOYSA-N 1 2 500.621 2.107 50 0 KEAALO O=C(NCCn1cc[nH+]c1)c1cc(NCc2ccc3c(c2)OCCO3)cc(S(=O)(=O)N2CCCC2)c1 ZINC000014752406 553520579 /nfs/dbraw/zinc/52/05/79/553520579.db2.gz RABBHKKVWWEECY-UHFFFAOYSA-N 1 2 511.604 2.481 50 0 KEAALO CS(=O)(=O)N1CC[NH+](Cc2cc3nc(-c4cccc5n[nH]cc54)nc(N4CCOCC4)c3s2)CC1 ZINC000016052714 553555154 /nfs/dbraw/zinc/55/51/54/553555154.db2.gz LHNIIDJUOCFXAP-UHFFFAOYSA-N 1 2 513.649 2.148 50 0 investigational KEAALO CCn1ncc(C[NH+]2CCN(C(=S)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)CC2)c1C ZINC000016346886 553560644 /nfs/dbraw/zinc/56/06/44/553560644.db2.gz RRKHSSMMGLCFIE-UHFFFAOYSA-N 1 2 500.654 2.317 50 0 KEAALO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CC2)cc1C ZINC000016393761 553562232 /nfs/dbraw/zinc/56/22/32/553562232.db2.gz WZGRPHLZUMDUND-UHFFFAOYSA-N 1 2 515.632 2.477 50 0 KEAALO Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000016400053 553562663 /nfs/dbraw/zinc/56/26/63/553562663.db2.gz LAPZVTKDZLOFFU-UHFFFAOYSA-N 1 2 503.621 2.381 50 0 KEAALO O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000016426278 553562978 /nfs/dbraw/zinc/56/29/78/553562978.db2.gz TWPDZNHMWXCEME-UHFFFAOYSA-N 1 2 501.605 2.313 50 0 KEAALO COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1=O ZINC000016974576 553585820 /nfs/dbraw/zinc/58/58/20/553585820.db2.gz HEEMAZOCUSKGMJ-UHFFFAOYSA-N 1 2 508.550 2.363 50 0 KEAALO COc1ccc(-n2nc(C(=O)NCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc3c2=O)cc1OC ZINC000017434164 553596152 /nfs/dbraw/zinc/59/61/52/553596152.db2.gz ZHSASBJGSZVFFR-UHFFFAOYSA-N 1 2 585.617 2.206 50 0 KEAALO CCN(C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000017527537 553596811 /nfs/dbraw/zinc/59/68/11/553596811.db2.gz FDZQMJNFMMZITR-UHFFFAOYSA-N 1 2 530.551 2.361 50 0 KEAALO CC(C)(CN1CC[NH+](CC(C)(C)NS(=O)(=O)c2ccccc2)CC1)NS(=O)(=O)c1ccccc1 ZINC000019367781 553614125 /nfs/dbraw/zinc/61/41/25/553614125.db2.gz HLQCDYLZYZGLBA-UHFFFAOYSA-N 1 2 508.710 2.118 50 0 KEAALO O=C(NC(=S)N1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)c1ccc2c(c1)OCO2 ZINC000019706979 553615345 /nfs/dbraw/zinc/61/53/45/553615345.db2.gz HLGFMISZKQZSNV-UHFFFAOYSA-N 1 2 516.579 2.497 50 0 KEAALO COc1cc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000019723142 553615818 /nfs/dbraw/zinc/61/58/18/553615818.db2.gz BBEANEZRHISHSP-JCMHNJIXSA-N 1 2 522.602 2.423 50 0 KEAALO O=C1C[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(I)cc1 ZINC000019782505 553616457 /nfs/dbraw/zinc/61/64/57/553616457.db2.gz QPPXQBDTYLQUMB-GOSISDBHSA-N 1 2 519.339 2.470 50 0 KEAALO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000019809660 553618137 /nfs/dbraw/zinc/61/81/37/553618137.db2.gz PWXHHWTYRCPPIY-UHFFFAOYSA-N 1 2 501.605 2.169 50 0 KEAALO COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000019809688 553618066 /nfs/dbraw/zinc/61/80/66/553618066.db2.gz GLWWOKLSGFQIMR-JOCHJYFZSA-N 1 2 526.615 2.145 50 0 KEAALO COCCCNS(=O)(=O)c1ccc2c(c1)c1c3n2C(C(=O)OCCO)=C[C@@]2(C)CCC[N@H+](CC1)[C@H]32 ZINC000019893211 553631629 /nfs/dbraw/zinc/63/16/29/553631629.db2.gz TUDNVGVNVMXCQV-ILBGXUMGSA-N 1 2 503.621 2.045 50 0 KEAALO COCCCNS(=O)(=O)c1ccc2c(c1)c1c3n2C(C(=O)OCCO)=C[C@@]2(C)CCC[N@@H+](CC1)[C@H]32 ZINC000019893211 553631625 /nfs/dbraw/zinc/63/16/25/553631625.db2.gz TUDNVGVNVMXCQV-ILBGXUMGSA-N 1 2 503.621 2.045 50 0 KEAALO COCCCNS(=O)(=O)c1ccc2c(c1)c1c3n2C(C(=O)OCCO)=C[C@]2(C)CCC[N@H+](CC1)[C@H]32 ZINC000019893213 553631571 /nfs/dbraw/zinc/63/15/71/553631571.db2.gz TUDNVGVNVMXCQV-NOZRDPDXSA-N 1 2 503.621 2.045 50 0 KEAALO COCCCNS(=O)(=O)c1ccc2c(c1)c1c3n2C(C(=O)OCCO)=C[C@]2(C)CCC[N@@H+](CC1)[C@H]32 ZINC000019893213 553631570 /nfs/dbraw/zinc/63/15/70/553631570.db2.gz TUDNVGVNVMXCQV-NOZRDPDXSA-N 1 2 503.621 2.045 50 0 KEAALO COc1ccc(CCn2c(N)c(C(=O)NCC[NH+]3CCOCC3)c3nc4ccccc4nc32)cc1OC ZINC000019939316 553638139 /nfs/dbraw/zinc/63/81/39/553638139.db2.gz GRUDNFLVZYQFKS-UHFFFAOYSA-N 1 2 504.591 2.489 50 0 KEAALO COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000020064294 553675068 /nfs/dbraw/zinc/67/50/68/553675068.db2.gz SAUOHVPUYBKBNN-NRFANRHFSA-N 1 2 514.579 2.275 50 0 KEAALO COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000020064295 553675044 /nfs/dbraw/zinc/67/50/44/553675044.db2.gz SAUOHVPUYBKBNN-OAQYLSRUSA-N 1 2 514.579 2.275 50 0 KEAALO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000020101165 553687080 /nfs/dbraw/zinc/68/70/80/553687080.db2.gz YBQHQELCTIFHTA-VWLOTQADSA-N 1 2 528.613 2.352 50 0 KEAALO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000020101168 553687123 /nfs/dbraw/zinc/68/71/23/553687123.db2.gz YBQHQELCTIFHTA-RUZDIDTESA-N 1 2 528.613 2.352 50 0 KEAALO Cc1sc2ncn(CC(=O)NCCCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1C ZINC000020103899 553687984 /nfs/dbraw/zinc/68/79/84/553687984.db2.gz LGQLNVFRCNCWRA-UHFFFAOYSA-N 1 2 525.631 2.044 50 0 KEAALO COc1ccc([C@@H]2[C@@H](C(=O)NCC[NH+]3CCOCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112558 553694626 /nfs/dbraw/zinc/69/46/26/553694626.db2.gz RKIFXOPFRUNRMP-LOSJGSFVSA-N 1 2 513.591 2.080 50 0 KEAALO COc1ccc([C@H]2[C@@H](C(=O)NCC[NH+]3CCOCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112560 553694548 /nfs/dbraw/zinc/69/45/48/553694548.db2.gz RKIFXOPFRUNRMP-DQEYMECFSA-N 1 2 513.591 2.080 50 0 KEAALO COc1ccc([C@@H]2[C@H](C(=O)NCC[NH+]3CCOCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112562 553694516 /nfs/dbraw/zinc/69/45/16/553694516.db2.gz RKIFXOPFRUNRMP-JWQCQUIFSA-N 1 2 513.591 2.080 50 0 KEAALO COc1ccc([C@H]2[C@H](C(=O)NCC[NH+]3CCOCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112565 553694574 /nfs/dbraw/zinc/69/45/74/553694574.db2.gz RKIFXOPFRUNRMP-RPBOFIJWSA-N 1 2 513.591 2.080 50 0 KEAALO O=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020116621 553697492 /nfs/dbraw/zinc/69/74/92/553697492.db2.gz UWAVJLIDIBJGLG-UHFFFAOYSA-N 1 2 504.568 2.356 50 0 KEAALO COc1cc2nc(=S)n3c(O)c(CCC(=O)N4CC[NH+](Cc5ccccc5)CC4)[nH]c3c2cc1OC ZINC000020234152 553620024 /nfs/dbraw/zinc/62/00/24/553620024.db2.gz ZRWTZTDNAKHXPU-LJQANCHMSA-N 1 2 507.616 2.496 50 0 KEAALO COc1cc2nc(=S)n3c(O)c(CCC(=O)N4CC[NH+](Cc5ccccc5)CC4)[nH]c3c2cc1OC ZINC000020234156 553619925 /nfs/dbraw/zinc/61/99/25/553619925.db2.gz ZRWTZTDNAKHXPU-IBGZPJMESA-N 1 2 507.616 2.496 50 0 KEAALO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000020235548 553622034 /nfs/dbraw/zinc/62/20/34/553622034.db2.gz XMCWRZGQPAGDAB-HXUWFJFHSA-N 1 2 508.629 2.325 50 0 KEAALO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000020235552 553622231 /nfs/dbraw/zinc/62/22/31/553622231.db2.gz XMCWRZGQPAGDAB-FQEVSTJZSA-N 1 2 508.629 2.325 50 0 KEAALO COc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)NCC[NH+]3CCOCC3)CC2)cc1 ZINC000020239417 553625220 /nfs/dbraw/zinc/62/52/20/553625220.db2.gz WJTVTPKKJZGMMQ-YVMONPNESA-N 1 2 518.636 2.011 50 0 KEAALO CCn1cc(C(=O)NCCC[NH+]2CCOCC2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000020240397 553626359 /nfs/dbraw/zinc/62/63/59/553626359.db2.gz OLMFJUVHPVQMJB-UHFFFAOYSA-N 1 2 518.680 2.427 50 0 KEAALO Cc1c(C(N)=O)sc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1C(=O)OC(C)C ZINC000020294970 553635614 /nfs/dbraw/zinc/63/56/14/553635614.db2.gz HNHWAKMHGIFKME-UHFFFAOYSA-N 1 2 502.593 2.206 50 0 KEAALO CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 ZINC000020419171 553648073 /nfs/dbraw/zinc/64/80/73/553648073.db2.gz BGTXIUOFFXCHPS-UHFFFAOYSA-N 1 2 510.012 2.479 50 0 KEAALO C[N@H+]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)NC[C@@H]4CCCO4)n23)C1 ZINC000020436932 553648586 /nfs/dbraw/zinc/64/85/86/553648586.db2.gz PMNBHFOWVQNAGR-INIZCTEOSA-N 1 2 510.645 2.470 50 0 KEAALO C[N@@H+]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)NC[C@@H]4CCCO4)n23)C1 ZINC000020436932 553648583 /nfs/dbraw/zinc/64/85/83/553648583.db2.gz PMNBHFOWVQNAGR-INIZCTEOSA-N 1 2 510.645 2.470 50 0 KEAALO C[N@H+]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)NC[C@H]4CCCO4)n23)C1 ZINC000020436935 553648638 /nfs/dbraw/zinc/64/86/38/553648638.db2.gz PMNBHFOWVQNAGR-MRXNPFEDSA-N 1 2 510.645 2.470 50 0 KEAALO C[N@@H+]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)NC[C@H]4CCCO4)n23)C1 ZINC000020436935 553648636 /nfs/dbraw/zinc/64/86/36/553648636.db2.gz PMNBHFOWVQNAGR-MRXNPFEDSA-N 1 2 510.645 2.470 50 0 KEAALO CCOC(=O)C1C(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530931 553669986 /nfs/dbraw/zinc/66/99/86/553669986.db2.gz XGESBKLITXEIOP-RUZDIDTESA-N 1 2 508.575 2.413 50 0 KEAALO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530931 553669983 /nfs/dbraw/zinc/66/99/83/553669983.db2.gz XGESBKLITXEIOP-RUZDIDTESA-N 1 2 508.575 2.413 50 0 KEAALO COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NCC[NH+]2CCOCC2)C(=O)[C@]31C ZINC000020609748 553678456 /nfs/dbraw/zinc/67/84/56/553678456.db2.gz GPBMEOLSMJADRK-NDEPHWFRSA-N 1 2 517.586 2.479 50 0 biogenic KEAALO COc1cc2c(cc1OC)-c1cc(NCC[NH+]3CCN(C(=O)c4ccc(F)cc4)CC3)nc(=O)n1CC2 ZINC000020610560 553678649 /nfs/dbraw/zinc/67/86/49/553678649.db2.gz NYHLISJTWUWCJN-UHFFFAOYSA-N 1 2 507.566 2.493 50 0 biogenic KEAALO CCOCCCn1c(=O)c2ccc(C(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)cc2[nH]c1=S ZINC000020644020 553683767 /nfs/dbraw/zinc/68/37/67/553683767.db2.gz ISBUYICHKHBXJA-UHFFFAOYSA-N 1 2 501.653 2.058 50 0 KEAALO CCc1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)NCCC[NH+]4CCOCC4)c(O)c3c2)cc1 ZINC000020677288 553687646 /nfs/dbraw/zinc/68/76/46/553687646.db2.gz MNJJDAFIVPCJQJ-UHFFFAOYSA-N 1 2 512.632 2.368 50 0 KEAALO Cc1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)NCCC[NH+]4CCOCC4)c(O)c3c2)cc1C ZINC000020677431 553687769 /nfs/dbraw/zinc/68/77/69/553687769.db2.gz WUVYUQPOUYYWGG-UHFFFAOYSA-N 1 2 512.632 2.422 50 0 KEAALO Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3ncc(C(=O)NCCC[NH+]4CCOCC4)c(O)c3c2)c1 ZINC000020677478 553687743 /nfs/dbraw/zinc/68/77/43/553687743.db2.gz VVCUIXVUWWUELT-UHFFFAOYSA-N 1 2 512.632 2.422 50 0 KEAALO CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2ncc(C(=O)NCCC[NH+]3CCOCC3)c(O)c2c1 ZINC000020677684 553687721 /nfs/dbraw/zinc/68/77/21/553687721.db2.gz XOBWZJIGUFNETA-UHFFFAOYSA-N 1 2 516.595 2.335 50 0 KEAALO O=C(CNC(=S)N(CCC[NH+]1CCOCC1)Cc1cccs1)NC[C@@H]1COc2ccccc2O1 ZINC000020679018 553687686 /nfs/dbraw/zinc/68/76/86/553687686.db2.gz UBRSBWAXZXMPHV-LJQANCHMSA-N 1 2 504.678 2.103 50 0 KEAALO O=C(CNC(=S)N(CCC[NH+]1CCOCC1)Cc1cccs1)NC[C@H]1COc2ccccc2O1 ZINC000020679023 553687726 /nfs/dbraw/zinc/68/77/26/553687726.db2.gz UBRSBWAXZXMPHV-IBGZPJMESA-N 1 2 504.678 2.103 50 0 KEAALO Cc1cc(I)ccc1Nc1nc(NCC[NH+]2CCOCC2)nc(N2CCOCC2)n1 ZINC000020757292 553695224 /nfs/dbraw/zinc/69/52/24/553695224.db2.gz VGZRWUYZJJJSMX-UHFFFAOYSA-N 1 2 525.395 2.109 50 0 KEAALO CCc1ccccc1N(C)S(=O)(=O)c1ccc2ncc(C(=O)NCCC[NH+]3CCOCC3)c(O)c2c1 ZINC000020765270 553696977 /nfs/dbraw/zinc/69/69/77/553696977.db2.gz DDQQSHXBZGECSS-UHFFFAOYSA-N 1 2 512.632 2.368 50 0 KEAALO CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(c5cccc[nH+]5)CC4)C3)ccc21 ZINC000021114156 553706853 /nfs/dbraw/zinc/70/68/53/553706853.db2.gz HZNPYTAADFNONW-JOCHJYFZSA-N 1 2 511.648 2.130 50 0 KEAALO CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCN(c5cccc[nH+]5)CC4)C3)ccc21 ZINC000021114161 553706789 /nfs/dbraw/zinc/70/67/89/553706789.db2.gz HZNPYTAADFNONW-QFIPXVFZSA-N 1 2 511.648 2.130 50 0 KEAALO CN1C(=O)c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021876355 553718921 /nfs/dbraw/zinc/71/89/21/553718921.db2.gz HEOPXEGFKYOHGB-NDEPHWFRSA-N 1 2 500.603 2.002 50 0 KEAALO CN1C(=O)c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021876358 553718927 /nfs/dbraw/zinc/71/89/27/553718927.db2.gz HEOPXEGFKYOHGB-MUUNZHRXSA-N 1 2 500.603 2.002 50 0 KEAALO CN1C(=O)c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021876889 553719234 /nfs/dbraw/zinc/71/92/34/553719234.db2.gz ZDZQWEFAVUVMNZ-NDEPHWFRSA-N 1 2 518.593 2.141 50 0 KEAALO CN1C(=O)c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021876893 553719191 /nfs/dbraw/zinc/71/91/91/553719191.db2.gz ZDZQWEFAVUVMNZ-MUUNZHRXSA-N 1 2 518.593 2.141 50 0 KEAALO CCCCN1C(=O)c2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021878108 553719895 /nfs/dbraw/zinc/71/98/95/553719895.db2.gz UEDPFZIEOYKRCY-MHZLTWQESA-N 1 2 507.639 2.314 50 0 KEAALO CCCCN1C(=O)c2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021878109 553719940 /nfs/dbraw/zinc/71/99/40/553719940.db2.gz UEDPFZIEOYKRCY-HHHXNRCGSA-N 1 2 507.639 2.314 50 0 KEAALO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000022791645 553750647 /nfs/dbraw/zinc/75/06/47/553750647.db2.gz DPCXHBGJTIXRAZ-JOCHJYFZSA-N 1 2 517.582 2.280 50 0 KEAALO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000022791651 553750826 /nfs/dbraw/zinc/75/08/26/553750826.db2.gz DPCXHBGJTIXRAZ-QFIPXVFZSA-N 1 2 517.582 2.280 50 0 KEAALO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022920309 553767124 /nfs/dbraw/zinc/76/71/24/553767124.db2.gz JJUXMOIESFCXIO-UHFFFAOYSA-N 1 2 530.647 2.355 50 0 KEAALO COc1ccc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000022920313 553767167 /nfs/dbraw/zinc/76/71/67/553767167.db2.gz QVXJRGNMWLCMGK-UHFFFAOYSA-N 1 2 530.647 2.355 50 0 KEAALO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022930893 553767710 /nfs/dbraw/zinc/76/77/10/553767710.db2.gz XELYNOZQXBFBRI-UHFFFAOYSA-N 1 2 510.547 2.457 50 0 KEAALO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022940533 553768395 /nfs/dbraw/zinc/76/83/95/553768395.db2.gz HYUDQDCYDMSPSQ-LJQANCHMSA-N 1 2 500.621 2.345 50 0 KEAALO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022940537 553768521 /nfs/dbraw/zinc/76/85/21/553768521.db2.gz HYUDQDCYDMSPSQ-IBGZPJMESA-N 1 2 500.621 2.345 50 0 KEAALO O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023109518 553770673 /nfs/dbraw/zinc/77/06/73/553770673.db2.gz NVIUWKUEADBAOL-UHFFFAOYSA-N 1 2 507.996 2.048 50 0 KEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4ccc(F)cc4F)CC3)c2)CC1 ZINC000023330909 553773279 /nfs/dbraw/zinc/77/32/79/553773279.db2.gz JSSOUHSKRKIABZ-UHFFFAOYSA-N 1 2 508.591 2.262 50 0 KEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4cc(F)ccc4F)CC3)c2)CC1 ZINC000023331374 553773284 /nfs/dbraw/zinc/77/32/84/553773284.db2.gz DRWOJUVBYQSUBE-UHFFFAOYSA-N 1 2 508.591 2.262 50 0 KEAALO CC(C)(C)C(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC[NH+]1CCOCC1 ZINC000023334906 553773786 /nfs/dbraw/zinc/77/37/86/553773786.db2.gz IKALTMKUKIGXSB-UHFFFAOYSA-N 1 2 524.709 2.487 50 0 KEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)c2)CC1 ZINC000023336357 553774092 /nfs/dbraw/zinc/77/40/92/553774092.db2.gz PAYVRIAAJBFDLC-UHFFFAOYSA-N 1 2 532.663 2.001 50 0 KEAALO CC[C@H](c1nnc(SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)n1CCN1CCOCC1)[NH+](C)C ZINC000024001825 553788201 /nfs/dbraw/zinc/78/82/01/553788201.db2.gz IISBZSRRACIQKU-GOSISDBHSA-N 1 2 517.656 2.169 50 0 KEAALO CC[C@@H](c1nnc(SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)n1CCN1CCOCC1)[NH+](C)C ZINC000024001827 553788185 /nfs/dbraw/zinc/78/81/85/553788185.db2.gz IISBZSRRACIQKU-SFHVURJKSA-N 1 2 517.656 2.169 50 0 KEAALO Cc1c(N(C)S(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000025286666 553806436 /nfs/dbraw/zinc/80/64/36/553806436.db2.gz NPWHZIZYZNKLPQ-UHFFFAOYSA-N 1 2 518.039 2.351 50 0 KEAALO COc1ccc(C[NH+]2CCN(C(=O)CN3C(=O)COc4ccc(S(=O)(=O)N5CCCCCC5)cc43)CC2)c(OC)c1OC ZINC000029748687 553849739 /nfs/dbraw/zinc/84/97/39/553849739.db2.gz XWXIKQPRCUKBKM-UHFFFAOYSA-N 1 2 616.737 2.347 50 0 KEAALO O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000029748690 553849725 /nfs/dbraw/zinc/84/97/25/553849725.db2.gz UNBQRRLDEZJRPK-UHFFFAOYSA-N 1 2 570.668 2.050 50 0 KEAALO COc1cc2nc(=S)n3c(O)c(CCC(=O)N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)[nH]c3c2cc1OC ZINC000029749269 553851602 /nfs/dbraw/zinc/85/16/02/553851602.db2.gz KEEMMOAIUKHRFX-GOSISDBHSA-N 1 2 551.625 2.225 50 0 KEAALO COc1cc2nc(=S)n3c(O)c(CCC(=O)N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)[nH]c3c2cc1OC ZINC000029749271 553851677 /nfs/dbraw/zinc/85/16/77/553851677.db2.gz KEEMMOAIUKHRFX-SFHVURJKSA-N 1 2 551.625 2.225 50 0 KEAALO O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000029749298 553851651 /nfs/dbraw/zinc/85/16/51/553851651.db2.gz DCGREELFOUCFBN-UHFFFAOYSA-N 1 2 529.644 2.165 50 0 KEAALO O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NCCCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000029752499 553853344 /nfs/dbraw/zinc/85/33/44/553853344.db2.gz RTHUDVLNMQYLPF-UHFFFAOYSA-N 1 2 551.669 2.306 50 0 KEAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(CC(=O)NCC[NH+]1CCN(c3cccc(Cl)c3)CC1)c2=O ZINC000032959224 553882046 /nfs/dbraw/zinc/88/20/46/553882046.db2.gz GWDDTASKVBXDGS-UHFFFAOYSA-N 1 2 516.023 2.064 50 0 KEAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(CC(=O)NCCC[N@H+]1CCN(c3cccc(C)c3)[C@@H](C)C1)c2=O ZINC000032959226 553882033 /nfs/dbraw/zinc/88/20/33/553882033.db2.gz JDLMCKKQKWFIDY-IBGZPJMESA-N 1 2 523.659 2.497 50 0 KEAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(CC(=O)NCCC[N@@H+]1CCN(c3cccc(C)c3)[C@@H](C)C1)c2=O ZINC000032959226 553882031 /nfs/dbraw/zinc/88/20/31/553882031.db2.gz JDLMCKKQKWFIDY-IBGZPJMESA-N 1 2 523.659 2.497 50 0 KEAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(CC(=O)NCCC[NH+]1CCN(c3cc(C)ccc3C)CC1)c2=O ZINC000032959227 553881983 /nfs/dbraw/zinc/88/19/83/553881983.db2.gz LNOATTIBRFMIEL-UHFFFAOYSA-N 1 2 523.659 2.417 50 0 KEAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(CCC(=O)NCCC[NH+]1CCN(c3ccccc3F)CC1)c2=O ZINC000032959237 553881957 /nfs/dbraw/zinc/88/19/57/553881957.db2.gz SARNIAPZWQGSSS-UHFFFAOYSA-N 1 2 527.622 2.330 50 0 KEAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(CCC(=O)NCCC[NH+]1CCN(c3ccc(F)cc3)CC1)c2=O ZINC000032959241 553881891 /nfs/dbraw/zinc/88/18/91/553881891.db2.gz PWVFFJKSSAIFKY-UHFFFAOYSA-N 1 2 527.622 2.330 50 0 KEAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(CCCC(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)c2=O ZINC000032959248 553881879 /nfs/dbraw/zinc/88/18/79/553881879.db2.gz DGUDSDAOQKBKBQ-UHFFFAOYSA-N 1 2 524.599 2.325 50 0 KEAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(CCCC(=O)NCC[NH+]1CCN(c3ccccc3)CC1)c2=O ZINC000032959252 553882003 /nfs/dbraw/zinc/88/20/03/553882003.db2.gz SFLJOUHIUAWNNO-UHFFFAOYSA-N 1 2 509.632 2.190 50 0 KEAALO CCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1OCC ZINC000032966705 553882818 /nfs/dbraw/zinc/88/28/18/553882818.db2.gz FYGNKYAEIFFFKM-UHFFFAOYSA-N 1 2 518.636 2.131 50 0 KEAALO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000032971878 553882961 /nfs/dbraw/zinc/88/29/61/553882961.db2.gz FNOBRWMVJZZNAW-UHFFFAOYSA-N 1 2 523.453 2.404 50 0 KEAALO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCOCC3)c2c1 ZINC000032999991 553888112 /nfs/dbraw/zinc/88/81/12/553888112.db2.gz LXTWSANLDIMDTE-OAQYLSRUSA-N 1 2 518.661 2.423 50 0 KEAALO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCOCC3)c2c1 ZINC000032999992 553888096 /nfs/dbraw/zinc/88/80/96/553888096.db2.gz LXTWSANLDIMDTE-NRFANRHFSA-N 1 2 518.661 2.423 50 0 KEAALO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000033058808 553903874 /nfs/dbraw/zinc/90/38/74/553903874.db2.gz SYULAVZFYUHDCZ-BQYQJAHWSA-N 1 2 502.637 2.311 50 0 KEAALO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000033058923 553904394 /nfs/dbraw/zinc/90/43/94/553904394.db2.gz QLJDDFLZZDSISA-VOTSOKGWSA-N 1 2 506.600 2.142 50 0 KEAALO Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000033059063 553905173 /nfs/dbraw/zinc/90/51/73/553905173.db2.gz OQVWOAHFCLPYQP-HWKANZROSA-N 1 2 524.590 2.281 50 0 KEAALO CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5cccc[nH+]5)CC4)CC3)ccc21 ZINC000033077504 553906387 /nfs/dbraw/zinc/90/63/87/553906387.db2.gz ITFOECXDTQIDFB-UHFFFAOYSA-N 1 2 511.648 2.130 50 0 KEAALO O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2s1)NC1CC1 ZINC000033353851 553927244 /nfs/dbraw/zinc/92/72/44/553927244.db2.gz FHMLLRXGUVMKMO-UHFFFAOYSA-N 1 2 528.664 2.269 50 0 KEAALO COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)N4CCN(c5cccc[nH+]5)CC4)c(=O)c32)CC1 ZINC000033357198 553947121 /nfs/dbraw/zinc/94/71/21/553947121.db2.gz VAPRZFAOHXKKDE-UHFFFAOYSA-N 1 2 623.761 2.030 50 0 KEAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000033357226 553947399 /nfs/dbraw/zinc/94/73/99/553947399.db2.gz YDZIAXSFQJPTFY-UHFFFAOYSA-N 1 2 541.649 2.394 50 0 KEAALO Cc1ccc(S(=O)(=O)Nc2ccc(-n3nnc(C(=O)N4CCN(c5cccc[nH+]5)CC4)c3N)cc2)cc1 ZINC000033436006 553960247 /nfs/dbraw/zinc/96/02/47/553960247.db2.gz DIFRUYPIWSDULP-UHFFFAOYSA-N 1 2 518.603 2.316 50 0 KEAALO O=C(Nc1snnc1C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000033436077 553960218 /nfs/dbraw/zinc/96/02/18/553960218.db2.gz ZPEDEUNZHISLJT-UXHICEINSA-N 1 2 519.631 2.309 50 0 KEAALO COc1ccc(C(=O)N2CC[NH+](C[C@@H]3CN(C(=O)COc4ccc(Cl)cc4)CCO3)CC2)c(OC)c1 ZINC000034686059 553988171 /nfs/dbraw/zinc/98/81/71/553988171.db2.gz NRIPDCHCCAPWTJ-JOCHJYFZSA-N 1 2 518.010 2.421 50 0 KEAALO COc1ccc(C(=O)N2CC[NH+](C[C@H]3CN(C(=O)COc4ccc(Cl)cc4)CCO3)CC2)c(OC)c1 ZINC000034686060 553988162 /nfs/dbraw/zinc/98/81/62/553988162.db2.gz NRIPDCHCCAPWTJ-QFIPXVFZSA-N 1 2 518.010 2.421 50 0 KEAALO COc1ccc(C(=O)N2CCO[C@H](C[NH+]3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)C2)cc1 ZINC000034686087 553988103 /nfs/dbraw/zinc/98/81/03/553988103.db2.gz OQSLZAWIDMCRLA-JOCHJYFZSA-N 1 2 513.591 2.020 50 0 KEAALO COc1ccc(C(=O)N2CCO[C@@H](C[NH+]3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)C2)cc1 ZINC000034686088 553988119 /nfs/dbraw/zinc/98/81/19/553988119.db2.gz OQSLZAWIDMCRLA-QFIPXVFZSA-N 1 2 513.591 2.020 50 0 KEAALO COc1cc(C(=O)N2CC[NH+](C[C@@H]3CN(C(=O)c4cccc(F)c4)CCO3)CC2)cc(OC)c1OC ZINC000034686089 553988153 /nfs/dbraw/zinc/98/81/53/553988153.db2.gz JZIHGNAIORJNDK-OAQYLSRUSA-N 1 2 501.555 2.151 50 0 KEAALO COc1cc(C(=O)N2CC[NH+](C[C@H]3CN(C(=O)c4cccc(F)c4)CCO3)CC2)cc(OC)c1OC ZINC000034686090 553987991 /nfs/dbraw/zinc/98/79/91/553987991.db2.gz JZIHGNAIORJNDK-NRFANRHFSA-N 1 2 501.555 2.151 50 0 KEAALO COc1cc(C(=O)N2CC[NH+](C[C@@H]3CN(C(=O)c4ccc(F)cc4F)CCO3)CC2)cc(OC)c1OC ZINC000034686097 553988128 /nfs/dbraw/zinc/98/81/28/553988128.db2.gz LFXSOFLVCFNVAP-LJQANCHMSA-N 1 2 519.545 2.290 50 0 KEAALO COc1cc(C(=O)N2CC[NH+](C[C@H]3CN(C(=O)c4ccc(F)cc4F)CCO3)CC2)cc(OC)c1OC ZINC000034686098 553988028 /nfs/dbraw/zinc/98/80/28/553988028.db2.gz LFXSOFLVCFNVAP-IBGZPJMESA-N 1 2 519.545 2.290 50 0 KEAALO COc1cccc(OC)c1C(=O)N1CC[NH+](C[C@@H]2CN(C(=O)COc3ccc(Cl)cc3)CCO2)CC1 ZINC000034686105 553988062 /nfs/dbraw/zinc/98/80/62/553988062.db2.gz PJGRIVVURFFZQX-OAQYLSRUSA-N 1 2 518.010 2.421 50 0 KEAALO COc1cccc(OC)c1C(=O)N1CC[NH+](C[C@H]2CN(C(=O)COc3ccc(Cl)cc3)CCO2)CC1 ZINC000034686106 553988013 /nfs/dbraw/zinc/98/80/13/553988013.db2.gz PJGRIVVURFFZQX-NRFANRHFSA-N 1 2 518.010 2.421 50 0 KEAALO O=C(COc1ccc(Cl)cc1)N1CCO[C@H](CN(CC[NH+]2CCOCC2)C(=O)c2ccccc2)C1 ZINC000034686185 553988145 /nfs/dbraw/zinc/98/81/45/553988145.db2.gz PKMVEYRYYSDUGO-DEOSSOPVSA-N 1 2 502.011 2.421 50 0 KEAALO O=C(COc1ccc(Cl)cc1)N1CCO[C@@H](CN(CC[NH+]2CCOCC2)C(=O)c2ccccc2)C1 ZINC000034686186 553988135 /nfs/dbraw/zinc/98/81/35/553988135.db2.gz PKMVEYRYYSDUGO-XMMPIXPASA-N 1 2 502.011 2.421 50 0 KEAALO COc1ccc(C(=O)N2CCO[C@H](CN(CC[NH+]3CCOCC3)C(=O)c3ccccc3F)C2)cc1OC ZINC000034686223 553988349 /nfs/dbraw/zinc/98/83/49/553988349.db2.gz XVLWXQJOFWQBHH-OAQYLSRUSA-N 1 2 515.582 2.159 50 0 KEAALO COc1ccc(C(=O)N2CCO[C@@H](CN(CC[NH+]3CCOCC3)C(=O)c3ccccc3F)C2)cc1OC ZINC000034686224 553988497 /nfs/dbraw/zinc/98/84/97/553988497.db2.gz XVLWXQJOFWQBHH-NRFANRHFSA-N 1 2 515.582 2.159 50 0 KEAALO COc1cccc(C(=O)N(CC[NH+]2CCOCC2)C[C@@H]2CN(C(=O)c3ccc(F)cc3F)CCO2)c1 ZINC000034686281 553988431 /nfs/dbraw/zinc/98/84/31/553988431.db2.gz UVYBMAYLGVLRSM-JOCHJYFZSA-N 1 2 503.546 2.289 50 0 KEAALO COc1cccc(C(=O)N(CC[NH+]2CCOCC2)C[C@H]2CN(C(=O)c3ccc(F)cc3F)CCO2)c1 ZINC000034686282 553988401 /nfs/dbraw/zinc/98/84/01/553988401.db2.gz UVYBMAYLGVLRSM-QFIPXVFZSA-N 1 2 503.546 2.289 50 0 KEAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2C[N@@H+](C[C@H](O)COCc3ccccc3)CCO2)cc1 ZINC000034691631 553989755 /nfs/dbraw/zinc/98/97/55/553989755.db2.gz MPFFYFPJMOEVQO-NSOVKSMOSA-N 1 2 511.663 2.048 50 0 KEAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2C[N@H+](C[C@H](O)COCc3ccccc3)CCO2)cc1 ZINC000034691631 553989750 /nfs/dbraw/zinc/98/97/50/553989750.db2.gz MPFFYFPJMOEVQO-NSOVKSMOSA-N 1 2 511.663 2.048 50 0 KEAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2C[N@@H+](C[C@H](O)COCc3ccccc3)CCO2)cc1 ZINC000034691632 553989662 /nfs/dbraw/zinc/98/96/62/553989662.db2.gz MPFFYFPJMOEVQO-WUFINQPMSA-N 1 2 511.663 2.048 50 0 KEAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2C[N@H+](C[C@H](O)COCc3ccccc3)CCO2)cc1 ZINC000034691632 553989658 /nfs/dbraw/zinc/98/96/58/553989658.db2.gz MPFFYFPJMOEVQO-WUFINQPMSA-N 1 2 511.663 2.048 50 0 KEAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000034691643 553989764 /nfs/dbraw/zinc/98/97/64/553989764.db2.gz QQQPRALHFIAQOB-BDYUSTAISA-N 1 2 515.626 2.049 50 0 KEAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2C[N@H+](C[C@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000034691643 553989761 /nfs/dbraw/zinc/98/97/61/553989761.db2.gz QQQPRALHFIAQOB-BDYUSTAISA-N 1 2 515.626 2.049 50 0 KEAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2C[N@@H+](C[C@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000034691644 553989684 /nfs/dbraw/zinc/98/96/84/553989684.db2.gz QQQPRALHFIAQOB-AHKZPQOWSA-N 1 2 515.626 2.049 50 0 KEAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2C[N@H+](C[C@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000034691644 553989681 /nfs/dbraw/zinc/98/96/81/553989681.db2.gz QQQPRALHFIAQOB-AHKZPQOWSA-N 1 2 515.626 2.049 50 0 KEAALO COc1ccc(C(=O)N(CC[NH+]2CCOCC2)C[C@@H]2CN(C(=O)Nc3ccccc3)CCO2)cc1OC ZINC000034692273 553990458 /nfs/dbraw/zinc/99/04/58/553990458.db2.gz CCLGTITYDBHNMX-HSZRJFAPSA-N 1 2 512.607 2.411 50 0 KEAALO COc1ccc(C(=O)N(CC[NH+]2CCOCC2)C[C@H]2CN(C(=O)Nc3ccccc3)CCO2)cc1OC ZINC000034692274 553990488 /nfs/dbraw/zinc/99/04/88/553990488.db2.gz CCLGTITYDBHNMX-QHCPKHFHSA-N 1 2 512.607 2.411 50 0 KEAALO COc1ccc(C(=O)N(CC[NH+]2CCOCC2)C[C@@H]2CN(C(=O)NCc3ccccc3)CCO2)cc1OC ZINC000034692277 553990426 /nfs/dbraw/zinc/99/04/26/553990426.db2.gz GMGPZWLOYBQKJN-XMMPIXPASA-N 1 2 526.634 2.089 50 0 KEAALO COc1ccc(C(=O)N(CC[NH+]2CCOCC2)C[C@H]2CN(C(=O)NCc3ccccc3)CCO2)cc1OC ZINC000034692278 553990348 /nfs/dbraw/zinc/99/03/48/553990348.db2.gz GMGPZWLOYBQKJN-DEOSSOPVSA-N 1 2 526.634 2.089 50 0 KEAALO Cc1ccc(C(=O)NCC[NH+]2CCOCC2)c(C2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)n1 ZINC000034729780 553997372 /nfs/dbraw/zinc/99/73/72/553997372.db2.gz GUCMHIBAFLKJHA-UHFFFAOYSA-N 1 2 504.628 2.468 50 0 KEAALO CN1C2=C(C(=O)N(CC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000034792156 554007770 /nfs/dbraw/zinc/00/77/70/554007770.db2.gz BMENLDQTOKMNHJ-QFIPXVFZSA-N 1 2 514.508 2.242 50 0 KEAALO CN1C2=C(C(=O)N(CC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000034792157 554007819 /nfs/dbraw/zinc/00/78/19/554007819.db2.gz BMENLDQTOKMNHJ-JOCHJYFZSA-N 1 2 514.508 2.242 50 0 KEAALO O=C(c1nnc(N2CCN(c3ccccc3F)CC2)c2ccccc21)N1CC[NH+](CCN2CCOCC2)CC1 ZINC000034837602 554020696 /nfs/dbraw/zinc/02/06/96/554020696.db2.gz KRYVQMUWTWGIRZ-UHFFFAOYSA-N 1 2 533.652 2.186 50 0 KEAALO O=C(c1nnc(N2CCN(c3ccccc3F)CC2)c2ccccc21)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000034837602 554020693 /nfs/dbraw/zinc/02/06/93/554020693.db2.gz KRYVQMUWTWGIRZ-UHFFFAOYSA-N 1 2 533.652 2.186 50 0 KEAALO CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CC[NH+](CC)CC4)cc3)cc2)CC1 ZINC000035264201 554042512 /nfs/dbraw/zinc/04/25/12/554042512.db2.gz YSLIAIOSMPQRJB-UHFFFAOYSA-N 1 2 506.694 2.006 50 0 KEAALO O=C(NCC[NH+]1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C(=O)c3ccco3)C[C@@H]12 ZINC000035907954 554092336 /nfs/dbraw/zinc/09/23/36/554092336.db2.gz IBJBHMBYWOJSLW-FPOVZHCZSA-N 1 2 506.525 2.250 50 0 KEAALO O=C(NCC[NH+]1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C(=O)c3ccco3)C[C@@H]12 ZINC000035907955 554092269 /nfs/dbraw/zinc/09/22/69/554092269.db2.gz IBJBHMBYWOJSLW-CTNGQTDRSA-N 1 2 506.525 2.250 50 0 KEAALO COc1cccc(C(=O)N2CCN(c3nc(C[NH+]4CCN(c5ccccc5OC)CC4)cc(=O)[nH]3)CC2)c1 ZINC000035926262 554098714 /nfs/dbraw/zinc/09/87/14/554098714.db2.gz WVNQIRDANHOXLZ-UHFFFAOYSA-N 1 2 518.618 2.072 50 0 KEAALO COc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCN(c5ccccc5F)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926271 554098647 /nfs/dbraw/zinc/09/86/47/554098647.db2.gz AXKXMBKTPWLUMA-UHFFFAOYSA-N 1 2 506.582 2.202 50 0 KEAALO COc1cccc(C(=O)N2CCN(c3nc(C[NH+]4CCN(c5ccccc5F)CC4)cc(=O)[nH]3)CC2)c1 ZINC000035926290 554099202 /nfs/dbraw/zinc/09/92/02/554099202.db2.gz KELOJMCEFHNGNV-UHFFFAOYSA-N 1 2 506.582 2.202 50 0 KEAALO O=C(COCc1ccccc1)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1 ZINC000035926293 554099269 /nfs/dbraw/zinc/09/92/69/554099269.db2.gz SMYKIAFAGGQYRD-UHFFFAOYSA-N 1 2 520.609 2.097 50 0 KEAALO COc1ccccc1C(=O)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1 ZINC000035926295 554099335 /nfs/dbraw/zinc/09/93/35/554099335.db2.gz IEJUIZBVCWMLPN-UHFFFAOYSA-N 1 2 506.582 2.202 50 0 KEAALO CCCCC(=O)N1CCCN(c2nc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)[nH]2)CC1 ZINC000035926369 554099152 /nfs/dbraw/zinc/09/91/52/554099152.db2.gz ZGJVEDZWVWGAKN-UHFFFAOYSA-N 1 2 510.639 2.045 50 0 KEAALO CCCCC(=O)N1CCCN(c2nc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc(=O)[nH]2)CC1 ZINC000035926369 554099149 /nfs/dbraw/zinc/09/91/49/554099149.db2.gz ZGJVEDZWVWGAKN-UHFFFAOYSA-N 1 2 510.639 2.045 50 0 KEAALO CC(C)(C)CC(=O)N1CCCN(c2nc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)[nH]2)CC1 ZINC000035926374 554099259 /nfs/dbraw/zinc/09/92/59/554099259.db2.gz FRPXGGVACRNUNS-UHFFFAOYSA-N 1 2 524.666 2.291 50 0 KEAALO CC(C)(C)CC(=O)N1CCCN(c2nc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc(=O)[nH]2)CC1 ZINC000035926374 554099256 /nfs/dbraw/zinc/09/92/56/554099256.db2.gz FRPXGGVACRNUNS-UHFFFAOYSA-N 1 2 524.666 2.291 50 0 KEAALO O=C(COc1ccccc1)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1 ZINC000035926398 554099673 /nfs/dbraw/zinc/09/96/73/554099673.db2.gz OZCAROJARPYHRE-UHFFFAOYSA-N 1 2 523.037 2.473 50 0 KEAALO COc1ccc(Cl)cc1N1CC[NH+](Cc2cc(=O)[nH]c(N3CCN(C(=O)C(C)(C)C)CC3)n2)CC1 ZINC000035926659 554099974 /nfs/dbraw/zinc/09/99/74/554099974.db2.gz VCKARFVORBCMGW-UHFFFAOYSA-N 1 2 503.047 2.449 50 0 KEAALO COc1ccc(Cl)cc1N1CC[NH+](Cc2cc(=O)[nH]c(N3CCN(C(=O)CC(C)C)CC3)n2)CC1 ZINC000035926665 554100513 /nfs/dbraw/zinc/10/05/13/554100513.db2.gz OFDBGPLHGBSNRU-UHFFFAOYSA-N 1 2 503.047 2.449 50 0 KEAALO O=C(c1ccccc1F)N1CCN(c2nc(C[NH+]3CCN(Cc4ccc(F)cc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926669 554100392 /nfs/dbraw/zinc/10/03/92/554100392.db2.gz HBEANYWZASCUBG-UHFFFAOYSA-N 1 2 508.573 2.328 50 0 KEAALO O=C(c1ccccc1F)N1CCN(c2nc(CN3CC[NH+](Cc4ccc(F)cc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926669 554100389 /nfs/dbraw/zinc/10/03/89/554100389.db2.gz HBEANYWZASCUBG-UHFFFAOYSA-N 1 2 508.573 2.328 50 0 KEAALO COc1cccc(C(=O)N2CCN(c3nc(C[NH+]4CCN(Cc5ccc(F)cc5)CC4)cc(=O)[nH]3)CC2)c1 ZINC000035926672 554100366 /nfs/dbraw/zinc/10/03/66/554100366.db2.gz BTOYBQBEUAXJTB-UHFFFAOYSA-N 1 2 520.609 2.198 50 0 KEAALO COc1cccc(C(=O)N2CCN(c3nc(CN4CC[NH+](Cc5ccc(F)cc5)CC4)cc(=O)[nH]3)CC2)c1 ZINC000035926672 554100364 /nfs/dbraw/zinc/10/03/64/554100364.db2.gz BTOYBQBEUAXJTB-UHFFFAOYSA-N 1 2 520.609 2.198 50 0 KEAALO COc1cccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)NC5CCCCC5)CC4)n3)CC2)c1 ZINC000035926761 554100357 /nfs/dbraw/zinc/10/03/57/554100357.db2.gz ZHDKHHNEWAJIFS-UHFFFAOYSA-N 1 2 509.655 2.265 50 0 KEAALO O=C(NC1CCCCC1)N1CCN(c2nc(C[NH+]3CCN(Cc4ccc(F)cc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926773 554100425 /nfs/dbraw/zinc/10/04/25/554100425.db2.gz MNOLGTODQXENOY-UHFFFAOYSA-N 1 2 511.646 2.391 50 0 KEAALO O=C(NC1CCCCC1)N1CCN(c2nc(CN3CC[NH+](Cc4ccc(F)cc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926773 554100423 /nfs/dbraw/zinc/10/04/23/554100423.db2.gz MNOLGTODQXENOY-UHFFFAOYSA-N 1 2 511.646 2.391 50 0 KEAALO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(=O)[nH]c(N3CCN(C(=O)NCc4ccccc4)CC3)n1)CC2 ZINC000035926791 554100826 /nfs/dbraw/zinc/10/08/26/554100826.db2.gz PNDUHQTZQHXWSY-UHFFFAOYSA-N 1 2 518.618 2.377 50 0 KEAALO COc1cc2c(cc1OC)C[N@H+](Cc1cc(=O)[nH]c(N3CCN(C(=O)NCc4ccccc4)CC3)n1)CC2 ZINC000035926791 554100823 /nfs/dbraw/zinc/10/08/23/554100823.db2.gz PNDUHQTZQHXWSY-UHFFFAOYSA-N 1 2 518.618 2.377 50 0 KEAALO Nc1c2c(nn1Cc1ccccc1)nc(N1CC[NH+](CC(=O)N3CCOCC3)CC1)nc2-c1ccccc1 ZINC000035929437 554101639 /nfs/dbraw/zinc/10/16/39/554101639.db2.gz JMNJXEHZEXIWLA-UHFFFAOYSA-N 1 2 512.618 2.105 50 0 KEAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)C)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000036005405 554130434 /nfs/dbraw/zinc/13/04/34/554130434.db2.gz RKICQNUIDRRXCD-HSZRJFAPSA-N 1 2 517.627 2.343 50 0 KEAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)C)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000036005405 554130431 /nfs/dbraw/zinc/13/04/31/554130431.db2.gz RKICQNUIDRRXCD-HSZRJFAPSA-N 1 2 517.627 2.343 50 0 KEAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)C)CC2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000036005406 554130377 /nfs/dbraw/zinc/13/03/77/554130377.db2.gz RKICQNUIDRRXCD-QHCPKHFHSA-N 1 2 517.627 2.343 50 0 KEAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)C)CC2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000036005406 554130375 /nfs/dbraw/zinc/13/03/75/554130375.db2.gz RKICQNUIDRRXCD-QHCPKHFHSA-N 1 2 517.627 2.343 50 0 KEAALO CCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@H](c3ccc(OC)cc3OC)NC(=O)N2CC)CC1 ZINC000036016837 554135987 /nfs/dbraw/zinc/13/59/87/554135987.db2.gz ZAPLLIOGERQLDN-QHCPKHFHSA-N 1 2 517.627 2.344 50 0 KEAALO CCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@H](c3ccc(OC)cc3OC)NC(=O)N2CC)CC1 ZINC000036016837 554135984 /nfs/dbraw/zinc/13/59/84/554135984.db2.gz ZAPLLIOGERQLDN-QHCPKHFHSA-N 1 2 517.627 2.344 50 0 KEAALO CCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@@H](c3ccc(OC)cc3OC)NC(=O)N2CC)CC1 ZINC000036016839 554135974 /nfs/dbraw/zinc/13/59/74/554135974.db2.gz ZAPLLIOGERQLDN-HSZRJFAPSA-N 1 2 517.627 2.344 50 0 KEAALO CCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@@H](c3ccc(OC)cc3OC)NC(=O)N2CC)CC1 ZINC000036016839 554135971 /nfs/dbraw/zinc/13/59/71/554135971.db2.gz ZAPLLIOGERQLDN-HSZRJFAPSA-N 1 2 517.627 2.344 50 0 KEAALO CCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@H](c3cc(OC)ccc3OC)NC(=O)N2CC)CC1 ZINC000036017335 554136592 /nfs/dbraw/zinc/13/65/92/554136592.db2.gz CIKYXJSEMMUVIM-QHCPKHFHSA-N 1 2 517.627 2.344 50 0 KEAALO CCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@H](c3cc(OC)ccc3OC)NC(=O)N2CC)CC1 ZINC000036017335 554136590 /nfs/dbraw/zinc/13/65/90/554136590.db2.gz CIKYXJSEMMUVIM-QHCPKHFHSA-N 1 2 517.627 2.344 50 0 KEAALO CCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@@H](c3cc(OC)ccc3OC)NC(=O)N2CC)CC1 ZINC000036017337 554136565 /nfs/dbraw/zinc/13/65/65/554136565.db2.gz CIKYXJSEMMUVIM-HSZRJFAPSA-N 1 2 517.627 2.344 50 0 KEAALO CCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@@H](c3cc(OC)ccc3OC)NC(=O)N2CC)CC1 ZINC000036017337 554136561 /nfs/dbraw/zinc/13/65/61/554136561.db2.gz CIKYXJSEMMUVIM-HSZRJFAPSA-N 1 2 517.627 2.344 50 0 KEAALO CCc1cc(N2CCN(C(C)=O)CC2)nc(SCc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)n1 ZINC000036028361 554141496 /nfs/dbraw/zinc/14/14/96/554141496.db2.gz NZIVXXWOCDTAPV-UHFFFAOYSA-N 1 2 512.680 2.062 50 0 KEAALO CCc1cc(N2CCN(C(C)=O)CC2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)[nH+]1 ZINC000036028375 554141373 /nfs/dbraw/zinc/14/13/73/554141373.db2.gz RPRXVQFHRPOLTM-UHFFFAOYSA-N 1 2 510.664 2.304 50 0 KEAALO O=C(Cc1ccccc1)N(CC[NH+]1CCOCC1)CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036061693 554161759 /nfs/dbraw/zinc/16/17/59/554161759.db2.gz YWOTVBMIXNMTQP-UHFFFAOYSA-N 1 2 528.657 2.196 50 0 KEAALO CC(=O)N1CCN(C(=O)c2cccc(CSc3nc(N4CCN(C(C)=O)CC4)c(C)c(C)[nH+]3)c2)CC1 ZINC000036063026 554162241 /nfs/dbraw/zinc/16/22/41/554162241.db2.gz JNUFTCJWYOEYCL-UHFFFAOYSA-N 1 2 510.664 2.359 50 0 KEAALO CCOC(=O)C1CCN(C(=O)c2coc(CN(CC[NH+]3CCOCC3)Cc3cccc(OC)c3)n2)CC1 ZINC000036082840 554174969 /nfs/dbraw/zinc/17/49/69/554174969.db2.gz ZWCGJHBYPXSOLW-UHFFFAOYSA-N 1 2 514.623 2.433 50 0 KEAALO Cc1ccc(-n2nc(C(=O)NCC[NH+]3CCOCC3)c(=O)n(Cc3ccccc3Cl)c2=O)cc1Cl ZINC000036089347 554177358 /nfs/dbraw/zinc/17/73/58/554177358.db2.gz MXTJZKOHSMKVCO-UHFFFAOYSA-N 1 2 518.401 2.120 50 0 KEAALO COc1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000036092223 554177564 /nfs/dbraw/zinc/17/75/64/554177564.db2.gz FDIFCYUDSJYPIC-UHFFFAOYSA-N 1 2 502.618 2.426 50 0 KEAALO Nc1c2c(nn1-c1ccccc1)nc(N1CC[NH+](CC(=O)N3CCOCC3)CC1)nc2-c1cccs1 ZINC000037358800 554235080 /nfs/dbraw/zinc/23/50/80/554235080.db2.gz DNTKBMYXTYYRQO-UHFFFAOYSA-N 1 2 504.620 2.107 50 0 KEAALO Nc1c2c(nn1Cc1ccccc1)nc(N1CC[NH+](CC(=O)N3CCOCC3)CC1)nc2-c1cccc(F)c1 ZINC000037361102 554235069 /nfs/dbraw/zinc/23/50/69/554235069.db2.gz VMRNWRIMEHKGED-UHFFFAOYSA-N 1 2 530.608 2.244 50 0 KEAALO Cc1ccc(OCC(=O)c2ccc3c(c2)N(CC(=O)NCC[NH+]2CCOCC2)C(=O)CO3)c(Cl)c1 ZINC000037512013 554249634 /nfs/dbraw/zinc/24/96/34/554249634.db2.gz CAULCLPGRNFSAS-UHFFFAOYSA-N 1 2 501.967 2.084 50 0 KEAALO CC(C)(C)c1ccc(OCC(=O)c2ccc3c(c2)N(CC(=O)NCC[NH+]2CCOCC2)C(=O)CO3)cc1 ZINC000037512034 554249646 /nfs/dbraw/zinc/24/96/46/554249646.db2.gz WASGANQHTGFYBI-UHFFFAOYSA-N 1 2 509.603 2.420 50 0 KEAALO Cc1ccc(Cl)c(OCC(=O)c2ccc3c(c2)N(CC(=O)NCC[NH+]2CCOCC2)C(=O)CO3)c1 ZINC000037512096 554249576 /nfs/dbraw/zinc/24/95/76/554249576.db2.gz VUUHQOYBSHTJOF-UHFFFAOYSA-N 1 2 501.967 2.084 50 0 KEAALO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)OC)CC[N@H+](C)C4)cc2)CC1 ZINC000038139091 554258909 /nfs/dbraw/zinc/25/89/09/554258909.db2.gz VQOJSWWPSRQZNU-UHFFFAOYSA-N 1 2 550.659 2.238 50 0 KEAALO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)OC)CC[N@@H+](C)C4)cc2)CC1 ZINC000038139091 554258905 /nfs/dbraw/zinc/25/89/05/554258905.db2.gz VQOJSWWPSRQZNU-UHFFFAOYSA-N 1 2 550.659 2.238 50 0 KEAALO CCc1[nH+]c2ccccc2n1CC(=O)OCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038140773 554264206 /nfs/dbraw/zinc/26/42/06/554264206.db2.gz YKEGFQUVZOQFFB-UHFFFAOYSA-N 1 2 532.601 2.312 50 0 KEAALO CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCC[NH+]2CCOCC2)c2ccccc21 ZINC000038152807 554273077 /nfs/dbraw/zinc/27/30/77/554273077.db2.gz FVEBGXOVJCOQHF-QJOMJCCJSA-N 1 2 560.076 2.169 50 0 KEAALO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC[NH+]3CCN(c4ccccc4)CC3)cc21 ZINC000040450208 554284936 /nfs/dbraw/zinc/28/49/36/554284936.db2.gz QJNPNOBSZJORRL-UHFFFAOYSA-N 1 2 507.454 2.459 50 0 KEAALO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)cc21 ZINC000044139531 554301250 /nfs/dbraw/zinc/30/12/50/554301250.db2.gz JKPIKMDIYSUIEZ-UHFFFAOYSA-N 1 2 521.437 2.266 50 0 KEAALO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1 ZINC000054313850 554349499 /nfs/dbraw/zinc/34/94/99/554349499.db2.gz DNDNVEBKSDJSPY-OAQYLSRUSA-N 1 2 503.525 2.183 50 0 KEAALO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1 ZINC000054313852 554349551 /nfs/dbraw/zinc/34/95/51/554349551.db2.gz DNDNVEBKSDJSPY-NRFANRHFSA-N 1 2 503.525 2.183 50 0 KEAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc1)[N@@H+](C)CC3)OCO2 ZINC000059101412 554377801 /nfs/dbraw/zinc/37/78/01/554377801.db2.gz IIMOGIKNDZFFGL-XMMPIXPASA-N 1 2 571.594 2.168 50 0 biogenic KEAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc1)[N@H+](C)CC3)OCO2 ZINC000059101412 554377798 /nfs/dbraw/zinc/37/77/98/554377798.db2.gz IIMOGIKNDZFFGL-XMMPIXPASA-N 1 2 571.594 2.168 50 0 biogenic KEAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc1)[N@@H+](C)CC3)OCO2 ZINC000059101415 554377715 /nfs/dbraw/zinc/37/77/15/554377715.db2.gz IIMOGIKNDZFFGL-DEOSSOPVSA-N 1 2 571.594 2.168 50 0 biogenic KEAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc1)[N@H+](C)CC3)OCO2 ZINC000059101415 554377710 /nfs/dbraw/zinc/37/77/10/554377710.db2.gz IIMOGIKNDZFFGL-DEOSSOPVSA-N 1 2 571.594 2.168 50 0 biogenic KEAALO CCOC(=O)C1CCN(C(=O)c2ccccc2-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)CC1 ZINC000059101509 554377770 /nfs/dbraw/zinc/37/77/70/554377770.db2.gz HGQSMWCTSIWFNU-QHCPKHFHSA-N 1 2 548.600 2.392 50 0 biogenic KEAALO CCOC(=O)C1CCN(C(=O)c2ccccc2-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)CC1 ZINC000059101509 554377768 /nfs/dbraw/zinc/37/77/68/554377768.db2.gz HGQSMWCTSIWFNU-QHCPKHFHSA-N 1 2 548.600 2.392 50 0 biogenic KEAALO CCOC(=O)C1CCN(C(=O)c2ccccc2-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)CC1 ZINC000059101512 554377750 /nfs/dbraw/zinc/37/77/50/554377750.db2.gz HGQSMWCTSIWFNU-HSZRJFAPSA-N 1 2 548.600 2.392 50 0 biogenic KEAALO CCOC(=O)C1CCN(C(=O)c2ccccc2-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)CC1 ZINC000059101512 554377747 /nfs/dbraw/zinc/37/77/47/554377747.db2.gz HGQSMWCTSIWFNU-HSZRJFAPSA-N 1 2 548.600 2.392 50 0 biogenic KEAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c1)[N@@H+](C)CC3)OCO2 ZINC000059101914 554378111 /nfs/dbraw/zinc/37/81/11/554378111.db2.gz BDQGBHKTNLCHHO-XMMPIXPASA-N 1 2 571.594 2.168 50 0 biogenic KEAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c1)[N@H+](C)CC3)OCO2 ZINC000059101914 554378107 /nfs/dbraw/zinc/37/81/07/554378107.db2.gz BDQGBHKTNLCHHO-XMMPIXPASA-N 1 2 571.594 2.168 50 0 biogenic KEAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c1)[N@@H+](C)CC3)OCO2 ZINC000059101917 554378142 /nfs/dbraw/zinc/37/81/42/554378142.db2.gz BDQGBHKTNLCHHO-DEOSSOPVSA-N 1 2 571.594 2.168 50 0 biogenic KEAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c1)[N@H+](C)CC3)OCO2 ZINC000059101917 554378138 /nfs/dbraw/zinc/37/81/38/554378138.db2.gz BDQGBHKTNLCHHO-DEOSSOPVSA-N 1 2 571.594 2.168 50 0 biogenic KEAALO COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)ccc3c2=O)cc1 ZINC000059514743 554401805 /nfs/dbraw/zinc/40/18/05/554401805.db2.gz YVGBFEBGTBXTIF-UHFFFAOYSA-N 1 2 528.565 2.433 50 0 KEAALO Cc1sc2ncn(CC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1S(=O)(=O)N1CCCCC1 ZINC000059515166 554402843 /nfs/dbraw/zinc/40/28/43/554402843.db2.gz BWCGYVBMOWTRLI-UHFFFAOYSA-N 1 2 573.697 2.014 50 0 KEAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000059524167 554405316 /nfs/dbraw/zinc/40/53/16/554405316.db2.gz MPBUIDQFARZTNA-UHFFFAOYSA-N 1 2 527.622 2.004 50 0 KEAALO O=C(CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@@H]2C1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000064957059 554522832 /nfs/dbraw/zinc/52/28/32/554522832.db2.gz QKOVGCYJRDFPGI-HSZRJFAPSA-N 1 2 502.619 2.372 50 0 KEAALO O=C(CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@H]2C1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000064957062 554522773 /nfs/dbraw/zinc/52/27/73/554522773.db2.gz QKOVGCYJRDFPGI-QHCPKHFHSA-N 1 2 502.619 2.372 50 0 KEAALO Cc1cnn([C@@H](C)[C@@H](C)[NH+](CCNS(=O)(=O)c2ccccc2)CCNS(=O)(=O)c2ccccc2)c1 ZINC000069706170 553593582 /nfs/dbraw/zinc/59/35/82/553593582.db2.gz HACGYWPEHPNBHC-YADHBBJMSA-N 1 2 519.693 2.400 50 0 KEAALO Cc1cnn([C@H](C)[C@@H](C)[NH+](CCNS(=O)(=O)c2ccccc2)CCNS(=O)(=O)c2ccccc2)c1 ZINC000069706172 553593453 /nfs/dbraw/zinc/59/34/53/553593453.db2.gz HACGYWPEHPNBHC-FGZHOGPDSA-N 1 2 519.693 2.400 50 0 KEAALO Cc1cnn([C@@H](C)[C@H](C)[NH+](CCNS(=O)(=O)c2ccccc2)CCNS(=O)(=O)c2ccccc2)c1 ZINC000069706174 553593498 /nfs/dbraw/zinc/59/34/98/553593498.db2.gz HACGYWPEHPNBHC-VXKWHMMOSA-N 1 2 519.693 2.400 50 0 KEAALO Cc1cnn([C@H](C)[C@H](C)[NH+](CCNS(=O)(=O)c2ccccc2)CCNS(=O)(=O)c2ccccc2)c1 ZINC000069706176 553593659 /nfs/dbraw/zinc/59/36/59/553593659.db2.gz HACGYWPEHPNBHC-FCHUYYIVSA-N 1 2 519.693 2.400 50 0 KEAALO Cc1oc2cc(OCC(=O)N3CCC[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)NC(=O)C[NH3+])ccc2c(=O)c1-c1ccc(F)cc1 ZINC000070665435 553596268 /nfs/dbraw/zinc/59/62/68/553596268.db2.gz YYDNTRUSBQCYPN-DNQXCXABSA-N 1 2 594.640 2.410 50 0 biogenic KEAALO O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000071772365 553636811 /nfs/dbraw/zinc/63/68/11/553636811.db2.gz DHWVPOBFEWYGBK-UHFFFAOYSA-N 1 2 502.531 2.136 50 0 KEAALO CO[C@@]1([NH3+])C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CS[C@@H]21 ZINC000072099493 553640007 /nfs/dbraw/zinc/64/00/07/553640007.db2.gz QGXKMJVEULWQSB-VWNXMTODSA-N 1 2 524.628 2.106 50 0 KEAALO O=C1C[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(I)cc1 ZINC000095531924 553702568 /nfs/dbraw/zinc/70/25/68/553702568.db2.gz QPPXQBDTYLQUMB-SFHVURJKSA-N 1 2 519.339 2.470 50 0 KEAALO CC(=O)N1CCN(c2nc(SCc3ccc(C(=O)NCC[NH+]4CCOCC4)cc3)nc(C)c2C)CC1 ZINC000096279914 553736533 /nfs/dbraw/zinc/73/65/33/553736533.db2.gz FEAUZQGGJDQTOP-UHFFFAOYSA-N 1 2 512.680 2.116 50 0 KEAALO O=C(CCn1c(=O)sc2cc(S(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)ccc21)N1CCCCC1 ZINC000096324072 553751836 /nfs/dbraw/zinc/75/18/36/553751836.db2.gz AQCFZJSAWNADPU-UHFFFAOYSA-N 1 2 515.661 2.372 50 0 KEAALO CCOC(=O)C1C(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000096358424 553752834 /nfs/dbraw/zinc/75/28/34/553752834.db2.gz XGESBKLITXEIOP-VWLOTQADSA-N 1 2 508.575 2.413 50 0 KEAALO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000096358424 553752832 /nfs/dbraw/zinc/75/28/32/553752832.db2.gz XGESBKLITXEIOP-VWLOTQADSA-N 1 2 508.575 2.413 50 0 KEAALO COc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1I ZINC000097940409 553765124 /nfs/dbraw/zinc/76/51/24/553765124.db2.gz KCJWABIGWYKXPP-UHFFFAOYSA-N 1 2 574.466 2.363 50 0 KEAALO O=C(CCC[NH+]1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000097981513 553994811 /nfs/dbraw/zinc/99/48/11/553994811.db2.gz GBPNZTAXIVFTHB-UHFFFAOYSA-N 1 2 573.112 2.099 50 0 KEAALO O=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000097983725 554011286 /nfs/dbraw/zinc/01/12/86/554011286.db2.gz DLOKUBDQBOYEQX-UHFFFAOYSA-N 1 2 580.638 2.054 50 0 KEAALO O=C(CSc1nnc(CCN2C(=O)c3cccc4cccc(c43)C2=O)n1-c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000097985322 554022803 /nfs/dbraw/zinc/02/28/03/554022803.db2.gz ZYYWANARIVLQMJ-UHFFFAOYSA-N 1 2 570.675 2.488 50 0 KEAALO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccc4c(c2)OCO4)c3=O)CC1 ZINC000097986368 554023330 /nfs/dbraw/zinc/02/33/30/554023330.db2.gz WBLAEDWZTWAVOC-UHFFFAOYSA-N 1 2 549.653 2.408 50 0 KEAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c1CC[N@@H+](C)C2 ZINC000097993348 554031210 /nfs/dbraw/zinc/03/12/10/554031210.db2.gz KMRLJUZITDLVTB-UHFFFAOYSA-N 1 2 539.676 2.449 50 0 KEAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c1CC[N@H+](C)C2 ZINC000097993348 554031208 /nfs/dbraw/zinc/03/12/08/554031208.db2.gz KMRLJUZITDLVTB-UHFFFAOYSA-N 1 2 539.676 2.449 50 0 KEAALO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(C(=O)OC)cc3)N(CC[NH+]3CCOCC3)C2=S)cc1 ZINC000097995509 554035573 /nfs/dbraw/zinc/03/55/73/554035573.db2.gz DRXHRHJBGCWFFR-QHCPKHFHSA-N 1 2 568.652 2.313 50 0 KEAALO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(C(=O)OC)cc3)N(CC[NH+]3CCOCC3)C2=S)cc1 ZINC000097995510 554035485 /nfs/dbraw/zinc/03/54/85/554035485.db2.gz DRXHRHJBGCWFFR-HSZRJFAPSA-N 1 2 568.652 2.313 50 0 KEAALO O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2s1)NC[C@@H]1CCCO1 ZINC000098048235 554160747 /nfs/dbraw/zinc/16/07/47/554160747.db2.gz UPLYVBPYGMXETR-SFHVURJKSA-N 1 2 572.717 2.285 50 0 KEAALO O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2s1)NC[C@H]1CCCO1 ZINC000098048236 554160772 /nfs/dbraw/zinc/16/07/72/554160772.db2.gz UPLYVBPYGMXETR-GOSISDBHSA-N 1 2 572.717 2.285 50 0 KEAALO O=C(c1ccccc1)N1CCN(C[C@@H](O)COc2ccc(OC[C@H](O)C[NH+]3CCN(C(=O)c4ccccc4)CC3)cc2)CC1 ZINC000098050594 554175489 /nfs/dbraw/zinc/17/54/89/554175489.db2.gz RBYBEOWVHIHZLA-LOYHVIPDSA-N 1 2 602.732 2.082 50 0 KEAALO O=C(c1ccccc1)N1CCN(C[C@H](O)COc2ccc(OC[C@@H](O)C[NH+]3CCN(C(=O)c4ccccc4)CC3)cc2)CC1 ZINC000098050595 554175482 /nfs/dbraw/zinc/17/54/82/554175482.db2.gz RBYBEOWVHIHZLA-KYJUHHDHSA-N 1 2 602.732 2.082 50 0 KEAALO CO[C@]1([NH3+])C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CS[C@@H]21 ZINC000100011563 554181061 /nfs/dbraw/zinc/18/10/61/554181061.db2.gz QGXKMJVEULWQSB-ISKFKSNPSA-N 1 2 524.628 2.106 50 0 KEAALO CO[C@]1([NH3+])C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CS[C@H]21 ZINC000100620399 554434321 /nfs/dbraw/zinc/43/43/21/554434321.db2.gz QGXKMJVEULWQSB-LADGPHEKSA-N 1 2 524.628 2.106 50 0 KEAALO COc1cc(C(=O)N2CC[NH+](C[C@@H]3CN(C(=O)COc4ccc(Cl)cc4)CCO3)CC2)cc(OC)c1OC ZINC000100887834 554509465 /nfs/dbraw/zinc/50/94/65/554509465.db2.gz BJORSVLDUPOKDX-JOCHJYFZSA-N 1 2 548.036 2.430 50 0 KEAALO COc1cc(C(=O)N2CC[NH+](C[C@H]3CN(C(=O)COc4ccc(Cl)cc4)CCO3)CC2)cc(OC)c1OC ZINC000100887836 554509382 /nfs/dbraw/zinc/50/93/82/554509382.db2.gz BJORSVLDUPOKDX-QFIPXVFZSA-N 1 2 548.036 2.430 50 0 KEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)c2)CC1 ZINC000101054069 554568991 /nfs/dbraw/zinc/56/89/91/554568991.db2.gz GSRCPKBAZNDIJT-UHFFFAOYSA-N 1 2 587.562 2.295 50 0 KEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)c2)CC1 ZINC000101054082 554568963 /nfs/dbraw/zinc/56/89/63/554568963.db2.gz FAQYNDDNRRYUAU-UHFFFAOYSA-N 1 2 561.101 2.325 50 0 KEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c2)CC1 ZINC000101054102 554568902 /nfs/dbraw/zinc/56/89/02/554568902.db2.gz IMSWMALHMXMMMW-UHFFFAOYSA-N 1 2 550.747 2.458 50 0 KEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)c2)CC1 ZINC000101054537 554569275 /nfs/dbraw/zinc/56/92/75/554569275.db2.gz PWQMRRWRHDDVQS-UHFFFAOYSA-N 1 2 543.111 2.186 50 0 KEAALO O=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000101093649 554583551 /nfs/dbraw/zinc/58/35/51/554583551.db2.gz CRRZNWXROVAHOH-UHFFFAOYSA-N 1 2 529.391 2.306 50 0 KEAALO COc1ccc(-n2nc(C(=O)NCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc3c2=O)c(OC)c1 ZINC000101187411 554669613 /nfs/dbraw/zinc/66/96/13/554669613.db2.gz LGEHDDPXZIRGFL-UHFFFAOYSA-N 1 2 585.617 2.206 50 0 KEAALO COc1ccc(-n2nc(C(=O)NCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc3c2=O)cc1 ZINC000101210502 554679306 /nfs/dbraw/zinc/67/93/06/554679306.db2.gz AZUHNUISVHRZAY-UHFFFAOYSA-N 1 2 555.591 2.197 50 0 KEAALO O=C(COc1ccccc1)N1CCN(c2nc(C[NH+]3CCN(Cc4ccc(Cl)cc4)CC3)cc(=O)[nH]2)CC1 ZINC000101210744 554679219 /nfs/dbraw/zinc/67/92/19/554679219.db2.gz PVSUTDWUOLSIMQ-UHFFFAOYSA-N 1 2 537.064 2.469 50 0 KEAALO O=C(COc1ccccc1)N1CCN(c2nc(CN3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc(=O)[nH]2)CC1 ZINC000101210744 554679216 /nfs/dbraw/zinc/67/92/16/554679216.db2.gz PVSUTDWUOLSIMQ-UHFFFAOYSA-N 1 2 537.064 2.469 50 0 KEAALO CC[N@@H+](CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O)c1cccc(C)c1 ZINC000101223253 554688208 /nfs/dbraw/zinc/68/82/08/554688208.db2.gz BIRNJEGTFSLRLE-UHFFFAOYSA-N 1 2 547.703 2.129 50 0 KEAALO CC[N@H+](CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O)c1cccc(C)c1 ZINC000101223253 554688207 /nfs/dbraw/zinc/68/82/07/554688207.db2.gz BIRNJEGTFSLRLE-UHFFFAOYSA-N 1 2 547.703 2.129 50 0 KEAALO COc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101264779 554698146 /nfs/dbraw/zinc/69/81/46/554698146.db2.gz KPYYXQFAXICZCS-JOCHJYFZSA-N 1 2 533.551 2.192 50 0 KEAALO COc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101264782 554698176 /nfs/dbraw/zinc/69/81/76/554698176.db2.gz KPYYXQFAXICZCS-QFIPXVFZSA-N 1 2 533.551 2.192 50 0 KEAALO CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101264784 554698153 /nfs/dbraw/zinc/69/81/53/554698153.db2.gz AVIHJXHFJHJLDS-HSZRJFAPSA-N 1 2 545.562 2.386 50 0 KEAALO CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101264785 554698174 /nfs/dbraw/zinc/69/81/74/554698174.db2.gz AVIHJXHFJHJLDS-QHCPKHFHSA-N 1 2 545.562 2.386 50 0 KEAALO CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101264786 554698182 /nfs/dbraw/zinc/69/81/82/554698182.db2.gz WDDHSGOIZWMUML-HSZRJFAPSA-N 1 2 560.577 2.142 50 0 KEAALO CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101264787 554698144 /nfs/dbraw/zinc/69/81/44/554698144.db2.gz WDDHSGOIZWMUML-QHCPKHFHSA-N 1 2 560.577 2.142 50 0 KEAALO Cc1sc2ncn(CC(=O)N3CCN(c4cccc[nH+]4)CC3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000101266719 554699293 /nfs/dbraw/zinc/69/92/93/554699293.db2.gz MLAWOFPWVVADSQ-HDICACEKSA-N 1 2 544.703 2.177 50 0 KEAALO Cc1sc2ncn(CC(=O)N3CCN(c4cccc[nH+]4)CC3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000101266720 554699302 /nfs/dbraw/zinc/69/93/02/554699302.db2.gz MLAWOFPWVVADSQ-ROUUACIJSA-N 1 2 544.703 2.177 50 0 KEAALO Cc1sc2ncn(CC(=O)N3CCN(c4cccc[nH+]4)CC3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000101266721 554699267 /nfs/dbraw/zinc/69/92/67/554699267.db2.gz MLAWOFPWVVADSQ-QZTJIDSGSA-N 1 2 544.703 2.177 50 0 KEAALO COc1ccc(S(=O)(=O)Nc2ccc(-n3nnc(C(=O)N4CCN(c5cccc[nH+]5)CC4)c3N)cc2)cc1 ZINC000101377174 554746639 /nfs/dbraw/zinc/74/66/39/554746639.db2.gz CQLMUSSGDIKEKM-UHFFFAOYSA-N 1 2 534.602 2.016 50 0 KEAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000101403161 554760662 /nfs/dbraw/zinc/76/06/62/554760662.db2.gz KTCJRFPTKJTWLI-UHFFFAOYSA-N 1 2 532.667 2.170 50 0 KEAALO CCn1cc(C(=O)NCCC[NH+]2CCOCC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000101418324 554766679 /nfs/dbraw/zinc/76/66/79/554766679.db2.gz GNLJSQHRPQZHBK-UHFFFAOYSA-N 1 2 538.670 2.221 50 0 KEAALO COc1ccc(C[NH+]2CCN(C(=O)CN3C(=O)COc4ccc(S(=O)(=O)N5CCC(C)CC5)cc43)CC2)c(OC)c1OC ZINC000101424306 554768035 /nfs/dbraw/zinc/76/80/35/554768035.db2.gz FHZOIMIBTCFJOH-UHFFFAOYSA-N 1 2 616.737 2.203 50 0 KEAALO COc1cc2nc(=S)n3c(O)c(CCC(=O)NCC[NH+]4CCN(c5ccccc5)CC4)[nH]c3c2cc1OC ZINC000101425522 554768455 /nfs/dbraw/zinc/76/84/55/554768455.db2.gz DJUXHZLBJVQACD-HXUWFJFHSA-N 1 2 536.658 2.090 50 0 KEAALO COc1cc2nc(=S)n3c(O)c(CCC(=O)NCC[NH+]4CCN(c5ccccc5)CC4)[nH]c3c2cc1OC ZINC000101425526 554768523 /nfs/dbraw/zinc/76/85/23/554768523.db2.gz DJUXHZLBJVQACD-FQEVSTJZSA-N 1 2 536.658 2.090 50 0 KEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)c2)CC1 ZINC000101472283 554781800 /nfs/dbraw/zinc/78/18/00/554781800.db2.gz AMEKZYZXFWCGOM-UHFFFAOYSA-N 1 2 562.689 2.010 50 0 KEAALO COc1cc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCCn2cc[nH+]c2)cc(OC)c1OC ZINC000101635145 554812675 /nfs/dbraw/zinc/81/26/75/554812675.db2.gz CLRZDXDWUHVWOR-HAHDFKILSA-N 1 2 610.693 2.496 50 0 KEAALO COc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000101691028 554830709 /nfs/dbraw/zinc/83/07/09/554830709.db2.gz KIDBKIBEGPXVNZ-UHFFFAOYSA-N 1 2 555.072 2.451 50 0 KEAALO COc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1N1CCN(C(=O)c2cc(F)ccc2Cl)CC1 ZINC000101691036 554830805 /nfs/dbraw/zinc/83/08/05/554830805.db2.gz ZAWJRYIAKVMZSF-UHFFFAOYSA-N 1 2 555.072 2.451 50 0 KEAALO COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@H]1c1cccc(OC)c1 ZINC000102034994 554869136 /nfs/dbraw/zinc/86/91/36/554869136.db2.gz IIIRGVWGTNJNMQ-DEOSSOPVSA-N 1 2 530.647 2.298 50 0 KEAALO COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@@H]1c1cccc(OC)c1 ZINC000102034998 554869140 /nfs/dbraw/zinc/86/91/40/554869140.db2.gz IIIRGVWGTNJNMQ-XMMPIXPASA-N 1 2 530.647 2.298 50 0 KEAALO COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@H]1c1ccccc1OC ZINC000102042436 554869747 /nfs/dbraw/zinc/86/97/47/554869747.db2.gz UTQNPAWZLYQXNV-DEOSSOPVSA-N 1 2 530.647 2.298 50 0 KEAALO COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@@H]1c1ccccc1OC ZINC000102042439 554869727 /nfs/dbraw/zinc/86/97/27/554869727.db2.gz UTQNPAWZLYQXNV-XMMPIXPASA-N 1 2 530.647 2.298 50 0 KEAALO CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)NCC[NH+]4CCN(c5ccccc5F)CC4)CC3)cc2C[C@H]1C ZINC000102050545 554870772 /nfs/dbraw/zinc/87/07/72/554870772.db2.gz SHKQHMGXSKIASE-OAQYLSRUSA-N 1 2 571.719 2.462 50 0 KEAALO CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)NCC[NH+]4CCN(c5ccccc5F)CC4)CC3)cc2C[C@@H]1C ZINC000102050550 554870778 /nfs/dbraw/zinc/87/07/78/554870778.db2.gz SHKQHMGXSKIASE-NRFANRHFSA-N 1 2 571.719 2.462 50 0 KEAALO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)COC4)[N@@H+](Cc3ccc(OC)cc3)C2)c1C(=O)OC ZINC000102100552 554881489 /nfs/dbraw/zinc/88/14/89/554881489.db2.gz KJYGTIBXQDFISE-UNMCSNQZSA-N 1 2 535.557 2.344 50 0 KEAALO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)COC4)[N@H+](Cc3ccc(OC)cc3)C2)c1C(=O)OC ZINC000102100552 554881488 /nfs/dbraw/zinc/88/14/88/554881488.db2.gz KJYGTIBXQDFISE-UNMCSNQZSA-N 1 2 535.557 2.344 50 0 KEAALO COc1ccc(C2=NN(C(=O)CN(CC[NH+]3CCOCC3)C(C)=O)[C@H](c3ccc4c(c3)OCO4)C2)c(OC)c1 ZINC000102375116 554917826 /nfs/dbraw/zinc/91/78/26/554917826.db2.gz VZDOSINIGYICAZ-DEOSSOPVSA-N 1 2 538.601 2.291 50 0 KEAALO COc1ccc(C2=NN(C(=O)CN(CC[NH+]3CCOCC3)C(C)=O)[C@@H](c3ccc4c(c3)OCO4)C2)c(OC)c1 ZINC000102375119 554918115 /nfs/dbraw/zinc/91/81/15/554918115.db2.gz VZDOSINIGYICAZ-XMMPIXPASA-N 1 2 538.601 2.291 50 0 KEAALO CCCN1C(=O)c2c(C(=O)N3CCN(c4cccc[nH+]4)CC3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000102501135 554943082 /nfs/dbraw/zinc/94/30/82/554943082.db2.gz RBJJDXBHXQFBKY-LJAQVGFWSA-N 1 2 545.644 2.190 50 0 KEAALO CCCN1C(=O)c2c(C(=O)N3CCN(c4cccc[nH+]4)CC3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000102501142 554943069 /nfs/dbraw/zinc/94/30/69/554943069.db2.gz RBJJDXBHXQFBKY-GDLZYMKVSA-N 1 2 545.644 2.190 50 0 KEAALO COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)c2=O ZINC000102740506 555029562 /nfs/dbraw/zinc/02/95/62/555029562.db2.gz WGDFZOIOILCAMG-UHFFFAOYSA-N 1 2 536.585 2.110 50 0 KEAALO COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@H]1c1ccc(OC)cc1OC ZINC000102747086 555040434 /nfs/dbraw/zinc/04/04/34/555040434.db2.gz SAKBGTBJCLPARB-VWLOTQADSA-N 1 2 560.673 2.307 50 0 KEAALO COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@@H]1c1ccc(OC)cc1OC ZINC000102747088 555040455 /nfs/dbraw/zinc/04/04/55/555040455.db2.gz SAKBGTBJCLPARB-RUZDIDTESA-N 1 2 560.673 2.307 50 0 KEAALO COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@H]1c1cccc(OC)c1OC ZINC000102747090 555040526 /nfs/dbraw/zinc/04/05/26/555040526.db2.gz DDAVJGWMUHDAPT-DEOSSOPVSA-N 1 2 560.673 2.307 50 0 KEAALO COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@@H]1c1cccc(OC)c1OC ZINC000102747092 555040412 /nfs/dbraw/zinc/04/04/12/555040412.db2.gz DDAVJGWMUHDAPT-XMMPIXPASA-N 1 2 560.673 2.307 50 0 KEAALO C[C@@H](Cn1cccn1)[NH+](CC(=O)N(C)C[C@@H]1COc2ccccc2O1)CC(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000102758071 555050232 /nfs/dbraw/zinc/05/02/32/555050232.db2.gz BFCRPOMEGTXNOB-RBZQAINGSA-N 1 2 563.655 2.170 50 0 KEAALO C[C@H](Cn1cccn1)[NH+](CC(=O)N(C)C[C@@H]1COc2ccccc2O1)CC(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000102758073 555050229 /nfs/dbraw/zinc/05/02/29/555050229.db2.gz BFCRPOMEGTXNOB-WXFUMESZSA-N 1 2 563.655 2.170 50 0 KEAALO C[C@H](Cn1cccn1)[N@H+](CC(=O)N(C)C[C@@H]1COc2ccccc2O1)CC(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000102758078 555050338 /nfs/dbraw/zinc/05/03/38/555050338.db2.gz BFCRPOMEGTXNOB-SMIHKQSGSA-N 1 2 563.655 2.170 50 0 KEAALO C[C@H](Cn1cccn1)[N@@H+](CC(=O)N(C)C[C@@H]1COc2ccccc2O1)CC(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000102758078 555050337 /nfs/dbraw/zinc/05/03/37/555050337.db2.gz BFCRPOMEGTXNOB-SMIHKQSGSA-N 1 2 563.655 2.170 50 0 KEAALO CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)c(O)c2c1 ZINC000102771991 555060865 /nfs/dbraw/zinc/06/08/65/555060865.db2.gz XXJPNHXPWBBMMR-UHFFFAOYSA-N 1 2 539.702 2.496 50 0 KEAALO CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)c(O)c2c1 ZINC000102771991 555060862 /nfs/dbraw/zinc/06/08/62/555060862.db2.gz XXJPNHXPWBBMMR-UHFFFAOYSA-N 1 2 539.702 2.496 50 0 KEAALO CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)c(=O)c2c1 ZINC000102771991 555060858 /nfs/dbraw/zinc/06/08/58/555060858.db2.gz XXJPNHXPWBBMMR-UHFFFAOYSA-N 1 2 539.702 2.496 50 0 KEAALO CC[N@@H+](CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1cccc(C)c1 ZINC000102783822 555066802 /nfs/dbraw/zinc/06/68/02/555066802.db2.gz BCDJGHJJPGNJHE-UHFFFAOYSA-N 1 2 546.715 2.487 50 0 KEAALO CC[N@H+](CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1cccc(C)c1 ZINC000102783822 555066800 /nfs/dbraw/zinc/06/68/00/555066800.db2.gz BCDJGHJJPGNJHE-UHFFFAOYSA-N 1 2 546.715 2.487 50 0 KEAALO CC[N@@H+](CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccccc1 ZINC000102786127 555067734 /nfs/dbraw/zinc/06/77/34/555067734.db2.gz RKINMHWBBSPEDA-UHFFFAOYSA-N 1 2 532.688 2.179 50 0 KEAALO CC[N@H+](CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccccc1 ZINC000102786127 555067732 /nfs/dbraw/zinc/06/77/32/555067732.db2.gz RKINMHWBBSPEDA-UHFFFAOYSA-N 1 2 532.688 2.179 50 0 KEAALO CCn1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)n1 ZINC000102920223 555145250 /nfs/dbraw/zinc/14/52/50/555145250.db2.gz WCQMIZVHMXEZQQ-UHFFFAOYSA-N 1 2 537.690 2.388 50 0 KEAALO CCn1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000102920527 555145681 /nfs/dbraw/zinc/14/56/81/555145681.db2.gz SGNZRUPYWXHIAP-UHFFFAOYSA-N 1 2 544.081 2.425 50 0 KEAALO Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000102920789 555146097 /nfs/dbraw/zinc/14/60/97/555146097.db2.gz PUVGBYNKGGGKPV-UHFFFAOYSA-N 1 2 544.081 2.250 50 0 KEAALO CCn1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000102920814 555146108 /nfs/dbraw/zinc/14/61/08/555146108.db2.gz BSHZOFNMIWCXCJ-UHFFFAOYSA-N 1 2 544.081 2.425 50 0 KEAALO CCn1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000102921071 555146355 /nfs/dbraw/zinc/14/63/55/555146355.db2.gz WMTQPJAODJASCQ-UHFFFAOYSA-N 1 2 537.690 2.388 50 0 KEAALO O=C(CCc1ccccc1)N1CCCN(c2nc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)[nH]2)CC1 ZINC000103025723 555215905 /nfs/dbraw/zinc/21/59/05/555215905.db2.gz XNKUNVCGPOOEDO-UHFFFAOYSA-N 1 2 558.683 2.488 50 0 KEAALO O=C(CCc1ccccc1)N1CCCN(c2nc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc(=O)[nH]2)CC1 ZINC000103025723 555215903 /nfs/dbraw/zinc/21/59/03/555215903.db2.gz XNKUNVCGPOOEDO-UHFFFAOYSA-N 1 2 558.683 2.488 50 0 KEAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(CN(CC[NH+]3CCOCC3)Cc3cccc(OC)c3OC)n2)C1 ZINC000103091688 555270444 /nfs/dbraw/zinc/27/04/44/555270444.db2.gz WBWDKBHBNFWWEJ-JOCHJYFZSA-N 1 2 544.649 2.442 50 0 KEAALO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(CN(CC[NH+]3CCOCC3)Cc3cccc(OC)c3OC)n2)C1 ZINC000103091693 555270487 /nfs/dbraw/zinc/27/04/87/555270487.db2.gz WBWDKBHBNFWWEJ-QFIPXVFZSA-N 1 2 544.649 2.442 50 0 KEAALO O=C(COC(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1)N1CC(=O)Nc2ccccc21 ZINC000103101302 555278722 /nfs/dbraw/zinc/27/87/22/555278722.db2.gz KNNDKSWOZRGHHU-UHFFFAOYSA-N 1 2 548.621 2.335 50 0 KEAALO Nc1c2c(nn1-c1cccc(F)c1)nc(N1CC[NH+](CC(=O)N3CCOCC3)CC1)nc2-c1cccc(F)c1 ZINC000103132872 555302664 /nfs/dbraw/zinc/30/26/64/555302664.db2.gz VFPQKJAUWMFYRW-UHFFFAOYSA-N 1 2 534.571 2.324 50 0 KEAALO COc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000103142933 555311740 /nfs/dbraw/zinc/31/17/40/555311740.db2.gz DJLZKBKOZCZLOW-UHFFFAOYSA-N 1 2 580.773 2.330 50 0 KEAALO COc1ccccc1N1CC[NH+](Cc2cc(=O)[nH]c(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)n2)CC1 ZINC000103208222 555339503 /nfs/dbraw/zinc/33/95/03/555339503.db2.gz ISDXYGZIYPWWGI-UHFFFAOYSA-N 1 2 553.063 2.482 50 0 KEAALO O=c1cc(C[NH+]2CCN(c3ccccc3F)CC2)nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[nH]1 ZINC000103208298 555339509 /nfs/dbraw/zinc/33/95/09/555339509.db2.gz RYEHDSMHNYSLAJ-UHFFFAOYSA-N 1 2 547.056 2.396 50 0 KEAALO COc1ccc(-c2nc(N3CC[NH+](CC(=O)N4CCOCC4)CC3)nc3nn(-c4ccc(OC)cc4)c(N)c32)cc1 ZINC000103252897 555344795 /nfs/dbraw/zinc/34/47/95/555344795.db2.gz VYKSERNMSQXDNE-UHFFFAOYSA-N 1 2 558.643 2.063 50 0 KEAALO Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CC[NH+](CC(=O)N3CCOCC3)CC1)nc2-c1ccc2c(c1)OCO2 ZINC000103287065 555353439 /nfs/dbraw/zinc/35/34/39/555353439.db2.gz OOIFDNKCTLWHAG-UHFFFAOYSA-N 1 2 577.045 2.428 50 0 KEAALO COc1ccc(Cl)cc1N1CC[NH+](Cc2cc(=O)[nH]c(N3CCN(C(=O)COc4ccccc4)CC3)n2)CC1 ZINC000103295326 555354220 /nfs/dbraw/zinc/35/42/20/555354220.db2.gz XAMDEGJKPDCUIX-UHFFFAOYSA-N 1 2 553.063 2.482 50 0 KEAALO Nc1c2c(nn1-c1cc(F)ccc1F)nc(N1CC[NH+](CC(=O)N3CCOCC3)CC1)nc2-c1cccc(F)c1 ZINC000103318510 555358393 /nfs/dbraw/zinc/35/83/93/555358393.db2.gz LDMBRXOUQKEDOG-UHFFFAOYSA-N 1 2 552.561 2.463 50 0 KEAALO COc1ccc(-n2nc3nc(N4CC[NH+](CC(=O)N5CCOCC5)CC4)nc(-c4cccc(F)c4)c3c2N)cc1 ZINC000103318515 555358657 /nfs/dbraw/zinc/35/86/57/555358657.db2.gz NOJVTLSBKKXZBC-UHFFFAOYSA-N 1 2 546.607 2.193 50 0 KEAALO COc1ccccc1N1CC[NH+](Cc2cc(=O)[nH]c(N3CCN(C(=O)c4c(OC)cccc4OC)CC3)n2)CC1 ZINC000103330640 555359320 /nfs/dbraw/zinc/35/93/20/555359320.db2.gz RZNRKNXWBXUCLP-UHFFFAOYSA-N 1 2 548.644 2.080 50 0 KEAALO COc1cccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)COc5ccc(Cl)cc5)CC4)n3)CC2)c1 ZINC000103330697 555359293 /nfs/dbraw/zinc/35/92/93/555359293.db2.gz SYHAJKGTHHCRST-UHFFFAOYSA-N 1 2 553.063 2.482 50 0 KEAALO O=C(NCC[NH+]1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C(=O)c3ccco3)C[C@H]12 ZINC000104920166 571387696 /nfs/dbraw/zinc/38/76/96/571387696.db2.gz IBJBHMBYWOJSLW-TZIWHRDSSA-N 1 2 506.525 2.250 50 0 KEAALO O=C(NCC[NH+]1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C(=O)c3ccco3)C[C@H]12 ZINC000104920170 571387730 /nfs/dbraw/zinc/38/77/30/571387730.db2.gz IBJBHMBYWOJSLW-PZJWPPBQSA-N 1 2 506.525 2.250 50 0 KEAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000105038242 571390092 /nfs/dbraw/zinc/39/00/92/571390092.db2.gz QQQPRALHFIAQOB-VPUSJEBWSA-N 1 2 515.626 2.049 50 0 KEAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000105038242 571390090 /nfs/dbraw/zinc/39/00/90/571390090.db2.gz QQQPRALHFIAQOB-VPUSJEBWSA-N 1 2 515.626 2.049 50 0 KEAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3)CCO2)cc1 ZINC000105038542 571390011 /nfs/dbraw/zinc/39/00/11/571390011.db2.gz MPFFYFPJMOEVQO-IZLXSDGUSA-N 1 2 511.663 2.048 50 0 KEAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2C[N@H+](C[C@@H](O)COCc3ccccc3)CCO2)cc1 ZINC000105038542 571390010 /nfs/dbraw/zinc/39/00/10/571390010.db2.gz MPFFYFPJMOEVQO-IZLXSDGUSA-N 1 2 511.663 2.048 50 0 KEAALO Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000105960396 571409562 /nfs/dbraw/zinc/40/95/62/571409562.db2.gz LTXONJIMBSIFMY-UHFFFAOYSA-N 1 2 548.666 2.483 50 0 KEAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3)CCO2)cc1 ZINC000169678822 571555905 /nfs/dbraw/zinc/55/59/05/571555905.db2.gz MPFFYFPJMOEVQO-VSGBNLITSA-N 1 2 511.663 2.048 50 0 KEAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2C[N@H+](C[C@@H](O)COCc3ccccc3)CCO2)cc1 ZINC000169678822 571555904 /nfs/dbraw/zinc/55/59/04/571555904.db2.gz MPFFYFPJMOEVQO-VSGBNLITSA-N 1 2 511.663 2.048 50 0 KEAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2C[N@@H+](C[C@@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000169679717 571556567 /nfs/dbraw/zinc/55/65/67/571556567.db2.gz QQQPRALHFIAQOB-XNMGPUDCSA-N 1 2 515.626 2.049 50 0 KEAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2C[N@H+](C[C@@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000169679717 571556566 /nfs/dbraw/zinc/55/65/66/571556566.db2.gz QQQPRALHFIAQOB-XNMGPUDCSA-N 1 2 515.626 2.049 50 0 KEAALO O=C(CN1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)NCc1ccc2c(c1)OCO2 ZINC000245053558 572200908 /nfs/dbraw/zinc/20/09/08/572200908.db2.gz OZXVGXPGEAVSAV-UHFFFAOYSA-N 1 2 500.555 2.099 50 0 KEAALO C[C@H](Cn1cccn1)[NH+](CC(=O)N(C)C[C@H]1COc2ccccc2O1)CC(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000245224672 572202387 /nfs/dbraw/zinc/20/23/87/572202387.db2.gz BFCRPOMEGTXNOB-SGNDLWITSA-N 1 2 563.655 2.170 50 0 KEAALO O=C(C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)N(CCO)Cc1ccccc1 ZINC000252492547 572261719 /nfs/dbraw/zinc/26/17/19/572261719.db2.gz MOZSEZZKJUYYSJ-UHFFFAOYSA-N 1 2 500.599 2.075 50 0 KEAALO O=C(CN1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)N(CCO)Cc1ccccc1 ZINC000252492547 572261718 /nfs/dbraw/zinc/26/17/18/572261718.db2.gz MOZSEZZKJUYYSJ-UHFFFAOYSA-N 1 2 500.599 2.075 50 0 KEAALO COc1ccc(CCNC(=O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1OC ZINC000252495063 572261734 /nfs/dbraw/zinc/26/17/34/572261734.db2.gz OLZHKXMHVKEQFU-UHFFFAOYSA-N 1 2 530.625 2.430 50 0 KEAALO COc1ccc(CCNC(=O)CN2CC[NH+](CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1OC ZINC000252495063 572261733 /nfs/dbraw/zinc/26/17/33/572261733.db2.gz OLZHKXMHVKEQFU-UHFFFAOYSA-N 1 2 530.625 2.430 50 0 KEAALO COc1cccc(CC(=O)N2CCC[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)CCNC(=O)CC2)c1 ZINC000257182349 1066356342 /nfs/dbraw/zinc/35/63/42/1066356342.db2.gz OZRUPRJZGOSKAN-HSZRJFAPSA-N 1 2 507.635 2.117 50 0 KEAALO COc1cccc(CC(=O)N2CCC[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)CCNC(=O)CC2)c1 ZINC000257182351 1066356392 /nfs/dbraw/zinc/35/63/92/1066356392.db2.gz OZRUPRJZGOSKAN-QHCPKHFHSA-N 1 2 507.635 2.117 50 0 KEAALO O=C([C@H]1CCCN(S(=O)(=O)Cc2ccccc2F)CCC(=O)NCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000257182768 1066217438 /nfs/dbraw/zinc/21/74/38/1066217438.db2.gz QCILICMRYLXZJB-NRFANRHFSA-N 1 2 531.654 2.008 50 0 KEAALO O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccccc2F)CCC(=O)NCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000257182770 1066356198 /nfs/dbraw/zinc/35/61/98/1066356198.db2.gz QCILICMRYLXZJB-OAQYLSRUSA-N 1 2 531.654 2.008 50 0 KEAALO Cc1ccccc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)CCNC(=O)CC1 ZINC000257185934 1066217155 /nfs/dbraw/zinc/21/71/55/1066217155.db2.gz YAAWCRANGJDERP-JOCHJYFZSA-N 1 2 513.664 2.036 50 0 KEAALO Cc1ccccc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)CCNC(=O)CC1 ZINC000257185936 1066217541 /nfs/dbraw/zinc/21/75/41/1066217541.db2.gz YAAWCRANGJDERP-QFIPXVFZSA-N 1 2 513.664 2.036 50 0 KEAALO O=C(NCCc1c[nH+]c[nH]1)[C@@H]1C[C@H]2C(=O)NCCCCCCN(S(=O)(=O)c3ccc4c(c3)CCC4)[C@H]2C1 ZINC000257195979 1066218645 /nfs/dbraw/zinc/21/86/45/1066218645.db2.gz XGTWRWZNRUVOFZ-SDUSCBPUSA-N 1 2 527.691 2.333 50 0 KEAALO O=C(NCCc1c[nH]c[nH+]1)[C@@H]1C[C@H]2C(=O)NCCCCCCN(S(=O)(=O)c3ccc4c(c3)CCC4)[C@H]2C1 ZINC000257195979 1066218618 /nfs/dbraw/zinc/21/86/18/1066218618.db2.gz XGTWRWZNRUVOFZ-SDUSCBPUSA-N 1 2 527.691 2.333 50 0 KEAALO COC(=O)C[C@H](c1cccc(OCC(N)=O)c1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585453 572118802 /nfs/dbraw/zinc/11/88/02/572118802.db2.gz IVWDBYOKEBJVPO-JOCHJYFZSA-N 1 2 552.580 2.480 50 0 KEAALO COC(=O)C[C@H](c1cccc(OCC(N)=O)c1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585453 572118798 /nfs/dbraw/zinc/11/87/98/572118798.db2.gz IVWDBYOKEBJVPO-JOCHJYFZSA-N 1 2 552.580 2.480 50 0 KEAALO COC(=O)C[C@@H](c1cccc(OCC(N)=O)c1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585454 572118602 /nfs/dbraw/zinc/11/86/02/572118602.db2.gz IVWDBYOKEBJVPO-QFIPXVFZSA-N 1 2 552.580 2.480 50 0 KEAALO COC(=O)C[C@@H](c1cccc(OCC(N)=O)c1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585454 572118597 /nfs/dbraw/zinc/11/85/97/572118597.db2.gz IVWDBYOKEBJVPO-QFIPXVFZSA-N 1 2 552.580 2.480 50 0 KEAALO COCCCNS(=O)(=O)c1ccc2c(c1)c1c3n2C(C(=O)OCCO)=C[C@@]2(C)CCC[N@H+](CC1)[C@@H]32 ZINC000299804323 572138500 /nfs/dbraw/zinc/13/85/00/572138500.db2.gz TUDNVGVNVMXCQV-UKILVPOCSA-N 1 2 503.621 2.045 50 0 KEAALO COCCCNS(=O)(=O)c1ccc2c(c1)c1c3n2C(C(=O)OCCO)=C[C@@]2(C)CCC[N@@H+](CC1)[C@@H]32 ZINC000299804323 572138498 /nfs/dbraw/zinc/13/84/98/572138498.db2.gz TUDNVGVNVMXCQV-UKILVPOCSA-N 1 2 503.621 2.045 50 0 KEAALO COCCCNS(=O)(=O)c1ccc2c(c1)c1c3n2C(C(=O)OCCO)=C[C@]2(C)CCC[N@H+](CC1)[C@@H]32 ZINC000299804324 572138586 /nfs/dbraw/zinc/13/85/86/572138586.db2.gz TUDNVGVNVMXCQV-ZCYQVOJMSA-N 1 2 503.621 2.045 50 0 KEAALO COCCCNS(=O)(=O)c1ccc2c(c1)c1c3n2C(C(=O)OCCO)=C[C@]2(C)CCC[N@@H+](CC1)[C@@H]32 ZINC000299804324 572138583 /nfs/dbraw/zinc/13/85/83/572138583.db2.gz TUDNVGVNVMXCQV-ZCYQVOJMSA-N 1 2 503.621 2.045 50 0 KEAALO CN1CC(=O)N[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952855825 1066363306 /nfs/dbraw/zinc/36/33/06/1066363306.db2.gz FABNNVMDXBIFPP-IZZNHLLZSA-N 1 2 531.613 2.383 50 0 KEAALO CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CC[N@@H+](Cc2ccc(OCC(N)=O)c(Cl)c2)CCNC1=O ZINC000952855885 1066363549 /nfs/dbraw/zinc/36/35/49/1066363549.db2.gz LRPPAWGJCMZFMK-RUZDIDTESA-N 1 2 630.121 2.333 50 0 KEAALO CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CC[N@H+](Cc2ccc(OCC(N)=O)c(Cl)c2)CCNC1=O ZINC000952855885 1066363533 /nfs/dbraw/zinc/36/35/33/1066363533.db2.gz LRPPAWGJCMZFMK-RUZDIDTESA-N 1 2 630.121 2.333 50 0 KEAALO CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)Cn3cc[nH+]c3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952856067 1066364196 /nfs/dbraw/zinc/36/41/96/1066364196.db2.gz GOWZHZSDQZJYFY-IZZNHLLZSA-N 1 2 547.612 2.462 50 0 KEAALO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)c1 ZINC000952856077 1066364567 /nfs/dbraw/zinc/36/45/67/1066364567.db2.gz HXZNOGSFTRYYMM-URLMMPGGSA-N 1 2 609.735 2.136 50 0 KEAALO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)c1 ZINC000952856077 1066364552 /nfs/dbraw/zinc/36/45/52/1066364552.db2.gz HXZNOGSFTRYYMM-URLMMPGGSA-N 1 2 609.735 2.136 50 0 KEAALO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@H+](Cc1[nH]nc(C)c1Cl)CCCNC(=O)CC2 ZINC000952856273 1066365344 /nfs/dbraw/zinc/36/53/44/1066365344.db2.gz VSYZPSZUNMMAOO-FQEVSTJZSA-N 1 2 577.126 2.457 50 0 KEAALO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@@H+](Cc1[nH]nc(C)c1Cl)CCCNC(=O)CC2 ZINC000952856273 1066365327 /nfs/dbraw/zinc/36/53/27/1066365327.db2.gz VSYZPSZUNMMAOO-FQEVSTJZSA-N 1 2 577.126 2.457 50 0 KEAALO O=C1NCCCn2cc(nn2)CC2(CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952856694 1066366304 /nfs/dbraw/zinc/36/63/04/1066366304.db2.gz FMOQUKBPAHUPCV-VWLOTQADSA-N 1 2 557.703 2.135 50 0 KEAALO O=C1NCCCn2cc(nn2)CC2(CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952856694 1066366291 /nfs/dbraw/zinc/36/62/91/1066366291.db2.gz FMOQUKBPAHUPCV-VWLOTQADSA-N 1 2 557.703 2.135 50 0 KEAALO Cc1n[nH]c(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c1Cl ZINC000952856873 1066366774 /nfs/dbraw/zinc/36/67/74/1066366774.db2.gz ILVJRACKVZDGHI-NRFANRHFSA-N 1 2 525.057 2.035 50 0 KEAALO CCN1CC(=O)N[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952856925 1066366908 /nfs/dbraw/zinc/36/69/08/1066366908.db2.gz DNOPHWUSYKKIEK-UIOOFZCWSA-N 1 2 531.613 2.383 50 0 KEAALO CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccc(Cn3cc[nH+]c3)o2)CCNC1=O ZINC000952856997 1066366934 /nfs/dbraw/zinc/36/69/34/1066366934.db2.gz VCTUMBJEGZREAA-RUZDIDTESA-N 1 2 606.659 2.293 50 0 KEAALO COc1cc(N2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)nc(N)[nH+]1 ZINC000952857473 1066368775 /nfs/dbraw/zinc/36/87/75/1066368775.db2.gz IKNBAMMCWDWWRC-REWPJTCUSA-N 1 2 520.590 2.204 50 0 KEAALO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857490 1066368603 /nfs/dbraw/zinc/36/86/03/1066368603.db2.gz OONHRENCZRYCPY-NSOVKSMOSA-N 1 2 606.680 2.320 50 0 KEAALO COCCN1CC(=O)N[C@H]2C[N@@H+](Cc3[nH]cc(C)c(=O)c3C)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952861563 1066371327 /nfs/dbraw/zinc/37/13/27/1066371327.db2.gz DFRBHBMZXZEVEO-SVBPBHIXSA-N 1 2 561.639 2.167 50 0 KEAALO COCCN1CC(=O)N[C@H]2C[N@H+](Cc3[nH]cc(C)c(=O)c3C)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952861563 1066371312 /nfs/dbraw/zinc/37/13/12/1066371312.db2.gz DFRBHBMZXZEVEO-SVBPBHIXSA-N 1 2 561.639 2.167 50 0 KEAALO Cc1cc(C)n(-c2ccc(F)cc2C[N@H+]2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)n1 ZINC000952861820 1066371694 /nfs/dbraw/zinc/37/16/94/1066371694.db2.gz BWLCELVVSNQYNQ-MFMCTBQISA-N 1 2 627.725 2.070 50 0 KEAALO Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+]2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)n1 ZINC000952861820 1066371682 /nfs/dbraw/zinc/37/16/82/1066371682.db2.gz BWLCELVVSNQYNQ-MFMCTBQISA-N 1 2 627.725 2.070 50 0 KEAALO C[N@@H+](CC(=O)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1)Cc1cccnc1 ZINC000952862727 1066373676 /nfs/dbraw/zinc/37/36/76/1066373676.db2.gz DKWBXRQGUZAMJJ-UHFFFAOYSA-N 1 2 531.661 2.098 50 0 KEAALO C[N@H+](CC(=O)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1)Cc1cccnc1 ZINC000952862727 1066373661 /nfs/dbraw/zinc/37/36/61/1066373661.db2.gz DKWBXRQGUZAMJJ-UHFFFAOYSA-N 1 2 531.661 2.098 50 0 KEAALO COCCn1ccnc1C[NH+]1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952863127 1066374390 /nfs/dbraw/zinc/37/43/90/1066374390.db2.gz SUDHHOJDXWWDPD-UHFFFAOYSA-N 1 2 507.639 2.087 50 0 KEAALO COCCN1CC(=O)N[C@H]2C[N@@H+](Cc3c(C)noc3C)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863130 1066374614 /nfs/dbraw/zinc/37/46/14/1066374614.db2.gz FWSAYTIQVIWQNJ-UIOOFZCWSA-N 1 2 535.601 2.467 50 0 KEAALO COCCN1CC(=O)N[C@H]2C[N@H+](Cc3c(C)noc3C)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863130 1066374597 /nfs/dbraw/zinc/37/45/97/1066374597.db2.gz FWSAYTIQVIWQNJ-UIOOFZCWSA-N 1 2 535.601 2.467 50 0 KEAALO COCCN1CC(=O)N[C@H]2CN(Cc3[nH+]c(C)c(C)n3C)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863843 1066377067 /nfs/dbraw/zinc/37/70/67/1066377067.db2.gz GLELJTQXGCEGTP-UIOOFZCWSA-N 1 2 548.644 2.212 50 0 KEAALO COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952865140 1066380735 /nfs/dbraw/zinc/38/07/35/1066380735.db2.gz OFWMCKVREOGCHZ-RFUXNCKSSA-N 1 2 747.894 2.148 50 0 KEAALO COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952865546 1066381764 /nfs/dbraw/zinc/38/17/64/1066381764.db2.gz QSUVCKJVNDDXOX-DQEYMECFSA-N 1 2 524.618 2.175 50 0 KEAALO COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1C[N@H+](CC(=O)N(C)C)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952865546 1066381747 /nfs/dbraw/zinc/38/17/47/1066381747.db2.gz QSUVCKJVNDDXOX-DQEYMECFSA-N 1 2 524.618 2.175 50 0 KEAALO COc1cc2ccc1OCCn1cc(nn1)CC[N@@H+](Cc1nn(C)c3cccc(Cl)c13)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O ZINC000952865651 1066382125 /nfs/dbraw/zinc/38/21/25/1066382125.db2.gz UOPBENWUNZINFX-LDRWWPFQSA-N 1 2 758.280 2.287 50 0 KEAALO COc1cc2ccc1OCCn1cc(nn1)CC[N@H+](Cc1nn(C)c3cccc(Cl)c13)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O ZINC000952865651 1066382111 /nfs/dbraw/zinc/38/21/11/1066382111.db2.gz UOPBENWUNZINFX-LDRWWPFQSA-N 1 2 758.280 2.287 50 0 KEAALO O=C1N[C@H]2C[N@H+](Cc3ccc(N4CCCC4=O)cc3)C[C@@H]2OCc2cn(nn2)CCCOc2cccc1c2 ZINC000952971918 1066384100 /nfs/dbraw/zinc/38/41/00/1066384100.db2.gz GUBZXEYPFBSNNI-UIOOFZCWSA-N 1 2 516.602 2.387 50 0 KEAALO O=C1N[C@H]2C[N@@H+](Cc3ccc(N4CCCC4=O)cc3)C[C@@H]2OCc2cn(nn2)CCCOc2cccc1c2 ZINC000952971918 1066384087 /nfs/dbraw/zinc/38/40/87/1066384087.db2.gz GUBZXEYPFBSNNI-UIOOFZCWSA-N 1 2 516.602 2.387 50 0 KEAALO