smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000000702279 551529556 /nfs/dbraw/zinc/52/95/56/551529556.db2.gz PZHNQDRFPUQYAG-HKBQPEDESA-N 1 2 586.685 4.892 50 30 KJEALO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000000702280 551529629 /nfs/dbraw/zinc/52/96/29/551529629.db2.gz PZHNQDRFPUQYAG-WJOKGBTCSA-N 1 2 586.685 4.892 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000000702961 551529744 /nfs/dbraw/zinc/52/97/44/551529744.db2.gz BRHDMLMBUSRNAH-VWLOTQADSA-N 1 2 501.539 4.705 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000000702962 551529812 /nfs/dbraw/zinc/52/98/12/551529812.db2.gz BRHDMLMBUSRNAH-RUZDIDTESA-N 1 2 501.539 4.705 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000000702977 551530250 /nfs/dbraw/zinc/53/02/50/551530250.db2.gz KYPBJJPPQOSXLG-QFIPXVFZSA-N 1 2 552.381 4.775 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000000703287 551531054 /nfs/dbraw/zinc/53/10/54/551531054.db2.gz WYMJVNQBNTYTKK-GDLZYMKVSA-N 1 2 556.615 4.551 50 30 KJEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3cc(Br)c(O)c(OC)c3)oc21 ZINC000001110463 551611046 /nfs/dbraw/zinc/61/10/46/551611046.db2.gz FVNHPCBKQTTXFH-QFIPXVFZSA-N 1 2 582.407 4.783 50 30 KJEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cc(Br)c(O)c(OC)c3)oc21 ZINC000001110464 551611042 /nfs/dbraw/zinc/61/10/42/551611042.db2.gz FVNHPCBKQTTXFH-JOCHJYFZSA-N 1 2 582.407 4.783 50 30 KJEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cnn1-c1ccccc1 ZINC000001451660 552077929 /nfs/dbraw/zinc/07/79/29/552077929.db2.gz GRFZGRQNORWXNN-NDEPHWFRSA-N 1 2 542.680 4.779 50 30 KJEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cnn1-c1ccccc1 ZINC000001451661 552077916 /nfs/dbraw/zinc/07/79/16/552077916.db2.gz GRFZGRQNORWXNN-MUUNZHRXSA-N 1 2 542.680 4.779 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(Br)c1)c1ccc(Br)cc1 ZINC000001458600 551677387 /nfs/dbraw/zinc/67/73/87/551677387.db2.gz UVIFTBMLBBMDEP-NRFANRHFSA-N 1 2 564.274 4.512 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(Br)c1)c1ccc(Br)cc1 ZINC000001458601 551677376 /nfs/dbraw/zinc/67/73/76/551677376.db2.gz UVIFTBMLBBMDEP-OAQYLSRUSA-N 1 2 564.274 4.512 50 30 KJEALO CC[NH+]=C(Nc1ccc(Br)cc1)S[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000002737127 552170486 /nfs/dbraw/zinc/17/04/86/552170486.db2.gz KHNNBZSLNVWRSC-MRXNPFEDSA-N 1 2 511.239 4.874 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000006196415 552568732 /nfs/dbraw/zinc/56/87/32/552568732.db2.gz VGLQJZAAWGCOGX-QFIPXVFZSA-N 1 2 510.388 4.713 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000006196415 552568731 /nfs/dbraw/zinc/56/87/31/552568731.db2.gz VGLQJZAAWGCOGX-QFIPXVFZSA-N 1 2 510.388 4.713 50 30 KJEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000008383712 552987378 /nfs/dbraw/zinc/98/73/78/552987378.db2.gz ZPJQFFRJGRDOJG-NFQMXDRXSA-N 1 2 518.654 4.608 50 30 KJEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000008383713 552987368 /nfs/dbraw/zinc/98/73/68/552987368.db2.gz ZPJQFFRJGRDOJG-CCLHPLFOSA-N 1 2 518.654 4.608 50 30 KJEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000008383715 552987526 /nfs/dbraw/zinc/98/75/26/552987526.db2.gz ZPJQFFRJGRDOJG-HRFSGMKKSA-N 1 2 518.654 4.608 50 30 KJEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000008383718 552987550 /nfs/dbraw/zinc/98/75/50/552987550.db2.gz ZPJQFFRJGRDOJG-DCFHFQCYSA-N 1 2 518.654 4.608 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCCC(C)C ZINC000008383764 552987509 /nfs/dbraw/zinc/98/75/09/552987509.db2.gz WTKJUVSOMLXYFC-YKGWIAGDSA-N 1 2 578.706 4.744 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCCC(C)C ZINC000008383768 552987486 /nfs/dbraw/zinc/98/74/86/552987486.db2.gz WTKJUVSOMLXYFC-SMSORMJASA-N 1 2 578.706 4.744 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCCC(C)C ZINC000008383771 552987504 /nfs/dbraw/zinc/98/75/04/552987504.db2.gz WTKJUVSOMLXYFC-RCRUUEGKSA-N 1 2 578.706 4.744 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCCC(C)C ZINC000008383774 552987469 /nfs/dbraw/zinc/98/74/69/552987469.db2.gz WTKJUVSOMLXYFC-CHJDUVSTSA-N 1 2 578.706 4.744 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000008433353 553028928 /nfs/dbraw/zinc/02/89/28/553028928.db2.gz NVNMXDOTURVDCB-MUUNZHRXSA-N 1 2 552.668 4.579 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000008433354 553028868 /nfs/dbraw/zinc/02/88/68/553028868.db2.gz NVNMXDOTURVDCB-NDEPHWFRSA-N 1 2 552.668 4.579 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000008433392 553028764 /nfs/dbraw/zinc/02/87/64/553028764.db2.gz AJORARBYINAWAV-WJOKGBTCSA-N 1 2 616.711 4.900 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008440925 553038927 /nfs/dbraw/zinc/03/89/27/553038927.db2.gz GXBFQSCKGIUEMT-XMMPIXPASA-N 1 2 543.458 4.539 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008440926 553038888 /nfs/dbraw/zinc/03/88/88/553038888.db2.gz GXBFQSCKGIUEMT-DEOSSOPVSA-N 1 2 543.458 4.539 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008441319 553040444 /nfs/dbraw/zinc/04/04/44/553040444.db2.gz JAJFXANYZYTZQW-HHHXNRCGSA-N 1 2 518.610 4.912 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008441322 553040470 /nfs/dbraw/zinc/04/04/70/553040470.db2.gz JAJFXANYZYTZQW-MHZLTWQESA-N 1 2 518.610 4.912 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000008441340 553040431 /nfs/dbraw/zinc/04/04/31/553040431.db2.gz IXQOCDCVKLYIRQ-MUUNZHRXSA-N 1 2 548.636 4.921 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000008441344 553040715 /nfs/dbraw/zinc/04/07/15/553040715.db2.gz IXQOCDCVKLYIRQ-NDEPHWFRSA-N 1 2 548.636 4.921 50 30 KJEALO CCOc1cccc(N2C(=O)C[C@@H](SC(Nc3ccccc3)=[NH+]CCc3ccc(OC)c(OC)c3)C2=O)c1 ZINC000008443420 553046320 /nfs/dbraw/zinc/04/63/20/553046320.db2.gz RQHBLTIHDWFVIU-AREMUKBSSA-N 1 2 533.650 4.988 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000008738384 553130797 /nfs/dbraw/zinc/13/07/97/553130797.db2.gz DDRHEJWQBWGDSV-AREMUKBSSA-N 1 2 510.606 4.614 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000008740076 553131870 /nfs/dbraw/zinc/13/18/70/553131870.db2.gz DDRHEJWQBWGDSV-SANMLTNESA-N 1 2 510.606 4.614 50 30 KJEALO CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008816969 553152291 /nfs/dbraw/zinc/15/22/91/553152291.db2.gz GOEZPPIIOCDBJW-DFXXOVSGSA-N 1 2 520.670 4.736 50 30 KJEALO CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008816970 553152308 /nfs/dbraw/zinc/15/23/08/553152308.db2.gz GOEZPPIIOCDBJW-TXTDGAROSA-N 1 2 520.670 4.736 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000008817337 553152605 /nfs/dbraw/zinc/15/26/05/553152605.db2.gz MMOKMUUQSMYWTG-AREMUKBSSA-N 1 2 506.643 4.602 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000008817884 553153179 /nfs/dbraw/zinc/15/31/79/553153179.db2.gz NWFIPPDLWBXEOR-QHCPKHFHSA-N 1 2 519.425 4.611 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000008817885 553153141 /nfs/dbraw/zinc/15/31/41/553153141.db2.gz NWFIPPDLWBXEOR-HSZRJFAPSA-N 1 2 519.425 4.611 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000008817977 553153397 /nfs/dbraw/zinc/15/33/97/553153397.db2.gz PVWJCCNWGMRRES-QHCPKHFHSA-N 1 2 519.425 4.611 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000008817978 553153407 /nfs/dbraw/zinc/15/34/07/553153407.db2.gz PVWJCCNWGMRRES-HSZRJFAPSA-N 1 2 519.425 4.611 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000008818088 553153474 /nfs/dbraw/zinc/15/34/74/553153474.db2.gz MMOKMUUQSMYWTG-SANMLTNESA-N 1 2 506.643 4.602 50 30 KJEALO COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008827110 553156341 /nfs/dbraw/zinc/15/63/41/553156341.db2.gz RMAUASLUFWSIRH-XMMPIXPASA-N 1 2 518.614 4.581 50 30 KJEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008827110 553156339 /nfs/dbraw/zinc/15/63/39/553156339.db2.gz RMAUASLUFWSIRH-XMMPIXPASA-N 1 2 518.614 4.581 50 30 KJEALO COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008827111 553156357 /nfs/dbraw/zinc/15/63/57/553156357.db2.gz RMAUASLUFWSIRH-DEOSSOPVSA-N 1 2 518.614 4.581 50 30 KJEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008827111 553156355 /nfs/dbraw/zinc/15/63/55/553156355.db2.gz RMAUASLUFWSIRH-DEOSSOPVSA-N 1 2 518.614 4.581 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000008836189 553162917 /nfs/dbraw/zinc/16/29/17/553162917.db2.gz MHOLQNDDYHTWHH-QHCPKHFHSA-N 1 2 519.425 4.611 50 30 KJEALO Cc1cc(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)ccc1OC(C)C ZINC000008836246 553162845 /nfs/dbraw/zinc/16/28/45/553162845.db2.gz XJRSGFQOOLEFHL-QFIPXVFZSA-N 1 2 501.421 4.685 50 30 KJEALO Cc1cc(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)ccc1OC(C)C ZINC000008836247 553162896 /nfs/dbraw/zinc/16/28/96/553162896.db2.gz XJRSGFQOOLEFHL-JOCHJYFZSA-N 1 2 501.421 4.685 50 30 KJEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008836592 553163136 /nfs/dbraw/zinc/16/31/36/553163136.db2.gz UYXPOWUBCAQHAS-VWLOTQADSA-N 1 2 532.641 4.971 50 30 KJEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008836592 553163135 /nfs/dbraw/zinc/16/31/35/553163135.db2.gz UYXPOWUBCAQHAS-VWLOTQADSA-N 1 2 532.641 4.971 50 30 KJEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008836593 553163130 /nfs/dbraw/zinc/16/31/30/553163130.db2.gz UYXPOWUBCAQHAS-RUZDIDTESA-N 1 2 532.641 4.971 50 30 KJEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008836593 553163129 /nfs/dbraw/zinc/16/31/29/553163129.db2.gz UYXPOWUBCAQHAS-RUZDIDTESA-N 1 2 532.641 4.971 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008857644 553168321 /nfs/dbraw/zinc/16/83/21/553168321.db2.gz HWJJOMQLNBOZFE-HHHXNRCGSA-N 1 2 504.627 4.675 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008857645 553168283 /nfs/dbraw/zinc/16/82/83/553168283.db2.gz HWJJOMQLNBOZFE-MHZLTWQESA-N 1 2 504.627 4.675 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000008857800 553168337 /nfs/dbraw/zinc/16/83/37/553168337.db2.gz PVYDFKUYVPIMNL-HHHXNRCGSA-N 1 2 522.642 4.563 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000008857801 553168553 /nfs/dbraw/zinc/16/85/53/553168553.db2.gz PVYDFKUYVPIMNL-MHZLTWQESA-N 1 2 522.642 4.563 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008858441 553169100 /nfs/dbraw/zinc/16/91/00/553169100.db2.gz QPAMNQJWXDLHDH-HHHXNRCGSA-N 1 2 506.643 4.899 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008858442 553168952 /nfs/dbraw/zinc/16/89/52/553168952.db2.gz QPAMNQJWXDLHDH-MHZLTWQESA-N 1 2 506.643 4.899 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000008859544 553169624 /nfs/dbraw/zinc/16/96/24/553169624.db2.gz DGQUAMSTGBFNGW-RUZDIDTESA-N 1 2 513.034 4.773 50 30 KJEALO CCOc1ccc(CC(N)=[NH+]OC(NC(=O)C2CCCCC2)(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000008869192 553171037 /nfs/dbraw/zinc/17/10/37/553171037.db2.gz BDLAIZVPEQLCSE-UHFFFAOYSA-N 1 2 513.479 4.833 50 30 KJEALO O=C1C=CC(=[NH+]Nc2cccc(Cl)c2)C=C1C=NNc1nc(N2CCCC2)nc(N2CCOCC2)n1 ZINC000008872029 553172021 /nfs/dbraw/zinc/17/20/21/553172021.db2.gz AAAMCHKFWPQXRR-HTJVSNRESA-N 1 2 507.986 4.529 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000008893071 553176984 /nfs/dbraw/zinc/17/69/84/553176984.db2.gz UNLXMJNRFBTHLX-HHHXNRCGSA-N 1 2 522.642 4.565 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000008893073 553177003 /nfs/dbraw/zinc/17/70/03/553177003.db2.gz UNLXMJNRFBTHLX-MHZLTWQESA-N 1 2 522.642 4.565 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008893074 553176979 /nfs/dbraw/zinc/17/69/79/553176979.db2.gz AZBQVQFWRYGIKC-HHHXNRCGSA-N 1 2 518.654 4.850 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000008893591 553177218 /nfs/dbraw/zinc/17/72/18/553177218.db2.gz MHOLQNDDYHTWHH-HSZRJFAPSA-N 1 2 519.425 4.611 50 30 KJEALO CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008904569 553183739 /nfs/dbraw/zinc/18/37/39/553183739.db2.gz NFLSGDFICNMWDY-CJJGVWJISA-N 1 2 502.611 4.874 50 30 KJEALO CC(C)(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008904573 553183728 /nfs/dbraw/zinc/18/37/28/553183728.db2.gz NFLSGDFICNMWDY-CZNAVJSXSA-N 1 2 502.611 4.874 50 30 KJEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccc(C(C)C)cc3)oc21 ZINC000008919028 553188775 /nfs/dbraw/zinc/18/87/75/553188775.db2.gz RIKMLLRSNYPHSY-CJJGVWJISA-N 1 2 518.610 4.709 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000008919611 553188949 /nfs/dbraw/zinc/18/89/49/553188949.db2.gz WNNYHQCFJSXSPM-HHHXNRCGSA-N 1 2 506.643 4.783 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000008920965 553189434 /nfs/dbraw/zinc/18/94/34/553189434.db2.gz QUMSDWUAQKDRSK-SANMLTNESA-N 1 2 519.598 4.748 50 30 KJEALO CC[NH+](CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(OC)cc2C)[C@H]1c1cccc(Br)c1 ZINC000008922418 553190065 /nfs/dbraw/zinc/19/00/65/553190065.db2.gz FTTWFECPTHCYJC-HOGKFDNTSA-N 1 2 501.421 4.530 50 30 KJEALO CC[NH+](CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(OC)cc2C)[C@@H]1c1cccc(Br)c1 ZINC000008922420 553190032 /nfs/dbraw/zinc/19/00/32/553190032.db2.gz FTTWFECPTHCYJC-MOBKVPTQSA-N 1 2 501.421 4.530 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000008922591 553190337 /nfs/dbraw/zinc/19/03/37/553190337.db2.gz HPRMDQPRLZGVHI-NRFANRHFSA-N 1 2 509.817 4.947 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000008922594 553190272 /nfs/dbraw/zinc/19/02/72/553190272.db2.gz HPRMDQPRLZGVHI-OAQYLSRUSA-N 1 2 509.817 4.947 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008934686 553192953 /nfs/dbraw/zinc/19/29/53/553192953.db2.gz AZBQVQFWRYGIKC-MHZLTWQESA-N 1 2 518.654 4.850 50 30 KJEALO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000008934797 553193172 /nfs/dbraw/zinc/19/31/72/553193172.db2.gz UGUJXYBMKSITPJ-HSZRJFAPSA-N 1 2 522.399 4.879 50 30 KJEALO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000008934797 553193170 /nfs/dbraw/zinc/19/31/70/553193170.db2.gz UGUJXYBMKSITPJ-HSZRJFAPSA-N 1 2 522.399 4.879 50 30 KJEALO C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000008934798 553193217 /nfs/dbraw/zinc/19/32/17/553193217.db2.gz UGUJXYBMKSITPJ-QHCPKHFHSA-N 1 2 522.399 4.879 50 30 KJEALO C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000008934798 553193215 /nfs/dbraw/zinc/19/32/15/553193215.db2.gz UGUJXYBMKSITPJ-QHCPKHFHSA-N 1 2 522.399 4.879 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000008981388 553196007 /nfs/dbraw/zinc/19/60/07/553196007.db2.gz LHFCTFNMPQWIQE-IUKMQXEJSA-N 1 2 513.034 4.616 50 30 KJEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccc(C(C)C)cc3)oc21 ZINC000008981836 553195985 /nfs/dbraw/zinc/19/59/85/553195985.db2.gz RIKMLLRSNYPHSY-CZNAVJSXSA-N 1 2 518.610 4.709 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C)cc2)cc1C ZINC000008982517 553196099 /nfs/dbraw/zinc/19/60/99/553196099.db2.gz WNNYHQCFJSXSPM-MHZLTWQESA-N 1 2 506.643 4.783 50 30 KJEALO Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000008983271 553196018 /nfs/dbraw/zinc/19/60/18/553196018.db2.gz VHLQULGGPZFWLO-NRFANRHFSA-N 1 2 501.414 4.788 50 30 KJEALO Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008983293 553196062 /nfs/dbraw/zinc/19/60/62/553196062.db2.gz VHLQULGGPZFWLO-OAQYLSRUSA-N 1 2 501.414 4.788 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000008984739 553196449 /nfs/dbraw/zinc/19/64/49/553196449.db2.gz QUMSDWUAQKDRSK-AREMUKBSSA-N 1 2 519.598 4.748 50 30 KJEALO Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)o1 ZINC000008996821 553197472 /nfs/dbraw/zinc/19/74/72/553197472.db2.gz FQELJGQKBNOEHU-NDEPHWFRSA-N 1 2 530.621 4.776 50 30 KJEALO Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)o1 ZINC000008996822 553197488 /nfs/dbraw/zinc/19/74/88/553197488.db2.gz FQELJGQKBNOEHU-MUUNZHRXSA-N 1 2 530.621 4.776 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000009007762 553198304 /nfs/dbraw/zinc/19/83/04/553198304.db2.gz NZEKMUZXJQFHAK-GDLZYMKVSA-N 1 2 526.633 4.875 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000009007780 553198256 /nfs/dbraw/zinc/19/82/56/553198256.db2.gz NYULRCQQTMSRQY-HHHXNRCGSA-N 1 2 506.643 4.783 50 30 KJEALO CC[NH+](CC)CCCN1C(=O)C(=O)C(=C(O)c2c(C)nc3ccccn32)[C@H]1c1ccc(Br)cc1 ZINC000009008271 553198528 /nfs/dbraw/zinc/19/85/28/553198528.db2.gz PTUNWNRMMMMGFH-COUQNMRISA-N 1 2 525.447 4.559 50 30 KJEALO CC[NH+](CC)CCCN1C(=O)C(=O)C(=C([O-])c2c(C)[nH+]c3ccccn32)[C@H]1c1ccc(Br)cc1 ZINC000009008271 553198526 /nfs/dbraw/zinc/19/85/26/553198526.db2.gz PTUNWNRMMMMGFH-COUQNMRISA-N 1 2 525.447 4.559 50 30 KJEALO CC[NH+](CC)CCCN1C(=O)C(=O)C(=C(O)c2c(C)nc3ccccn32)[C@@H]1c1ccc(Br)cc1 ZINC000009008272 553198567 /nfs/dbraw/zinc/19/85/67/553198567.db2.gz PTUNWNRMMMMGFH-BUANBSPESA-N 1 2 525.447 4.559 50 30 KJEALO CC[NH+](CC)CCCN1C(=O)C(=O)C(=C([O-])c2c(C)[nH+]c3ccccn32)[C@@H]1c1ccc(Br)cc1 ZINC000009008272 553198565 /nfs/dbraw/zinc/19/85/65/553198565.db2.gz PTUNWNRMMMMGFH-BUANBSPESA-N 1 2 525.447 4.559 50 30 KJEALO O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc(Br)c1 ZINC000009008562 553198989 /nfs/dbraw/zinc/19/89/89/553198989.db2.gz VITWRQLIRHFYLM-HXUWFJFHSA-N 1 2 500.780 4.968 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000009008562 553198986 /nfs/dbraw/zinc/19/89/86/553198986.db2.gz VITWRQLIRHFYLM-HXUWFJFHSA-N 1 2 500.780 4.968 50 30 KJEALO O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc(Br)c1 ZINC000009008563 553199053 /nfs/dbraw/zinc/19/90/53/553199053.db2.gz VITWRQLIRHFYLM-FQEVSTJZSA-N 1 2 500.780 4.968 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000009008563 553199050 /nfs/dbraw/zinc/19/90/50/553199050.db2.gz VITWRQLIRHFYLM-FQEVSTJZSA-N 1 2 500.780 4.968 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000009008745 553199211 /nfs/dbraw/zinc/19/92/11/553199211.db2.gz NZEKMUZXJQFHAK-LJAQVGFWSA-N 1 2 526.633 4.875 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000009008754 553199323 /nfs/dbraw/zinc/19/93/23/553199323.db2.gz NYULRCQQTMSRQY-MHZLTWQESA-N 1 2 506.643 4.783 50 30 KJEALO CCOC(=O)c1c(/N=C/c2cc(Br)cc(Br)c2O)sc2c1CC[N@@H+](C)C2 ZINC000009034169 553201951 /nfs/dbraw/zinc/20/19/51/553201951.db2.gz RFVQKNPBQDENEI-ODCIPOBUSA-N 1 2 502.228 4.894 50 30 KJEALO CCOC(=O)c1c(/N=C/c2cc(Br)cc(Br)c2O)sc2c1CC[N@H+](C)C2 ZINC000009034169 553201950 /nfs/dbraw/zinc/20/19/50/553201950.db2.gz RFVQKNPBQDENEI-ODCIPOBUSA-N 1 2 502.228 4.894 50 30 KJEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000009045636 553203541 /nfs/dbraw/zinc/20/35/41/553203541.db2.gz LDEHCLJHEPNBMP-HSZRJFAPSA-N 1 2 522.399 4.879 50 30 KJEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000009045636 553203540 /nfs/dbraw/zinc/20/35/40/553203540.db2.gz LDEHCLJHEPNBMP-HSZRJFAPSA-N 1 2 522.399 4.879 50 30 KJEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000009045641 553203501 /nfs/dbraw/zinc/20/35/01/553203501.db2.gz LDEHCLJHEPNBMP-QHCPKHFHSA-N 1 2 522.399 4.879 50 30 KJEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000009045641 553203500 /nfs/dbraw/zinc/20/35/00/553203500.db2.gz LDEHCLJHEPNBMP-QHCPKHFHSA-N 1 2 522.399 4.879 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000009046420 553203741 /nfs/dbraw/zinc/20/37/41/553203741.db2.gz JVDTXVTZDZDLCG-QHCPKHFHSA-N 1 2 519.425 4.611 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000009046421 553203714 /nfs/dbraw/zinc/20/37/14/553203714.db2.gz JVDTXVTZDZDLCG-HSZRJFAPSA-N 1 2 519.425 4.611 50 30 KJEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000009065102 553205788 /nfs/dbraw/zinc/20/57/88/553205788.db2.gz PDCRGGDBAKVVCZ-AREMUKBSSA-N 1 2 527.061 4.984 50 30 KJEALO O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000009068055 553206596 /nfs/dbraw/zinc/20/65/96/553206596.db2.gz NNODTZLYBAXQTL-HXUWFJFHSA-N 1 2 500.780 4.968 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000009068055 553206595 /nfs/dbraw/zinc/20/65/95/553206595.db2.gz NNODTZLYBAXQTL-HXUWFJFHSA-N 1 2 500.780 4.968 50 30 KJEALO CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000009070098 553206846 /nfs/dbraw/zinc/20/68/46/553206846.db2.gz KZAGMWUKDZPRJX-FQEVSTJZSA-N 1 2 507.812 4.641 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccc2)ccc1OCc1ccccc1 ZINC000009086300 553208315 /nfs/dbraw/zinc/20/83/15/553208315.db2.gz GUMOJQWQSWIKBR-GDLZYMKVSA-N 1 2 526.633 4.875 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2)ccc1OCc1ccccc1 ZINC000009086301 553208301 /nfs/dbraw/zinc/20/83/01/553208301.db2.gz GUMOJQWQSWIKBR-LJAQVGFWSA-N 1 2 526.633 4.875 50 30 KJEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000009086315 553208588 /nfs/dbraw/zinc/20/85/88/553208588.db2.gz PDCRGGDBAKVVCZ-SANMLTNESA-N 1 2 527.061 4.984 50 30 KJEALO COc1ccc(-n2c(N/[NH+]=C/c3ccc(N(C)C)cc3)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 ZINC000009144994 553213996 /nfs/dbraw/zinc/21/39/96/553213996.db2.gz FMQDOVCHSVHBDH-RWPZCVJISA-N 1 2 503.628 4.819 50 30 KJEALO O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1 ZINC000009240564 553226033 /nfs/dbraw/zinc/22/60/33/553226033.db2.gz NNODTZLYBAXQTL-FQEVSTJZSA-N 1 2 500.780 4.968 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000009240564 553226030 /nfs/dbraw/zinc/22/60/30/553226030.db2.gz NNODTZLYBAXQTL-FQEVSTJZSA-N 1 2 500.780 4.968 50 30 KJEALO CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000009241069 553226233 /nfs/dbraw/zinc/22/62/33/553226233.db2.gz KZAGMWUKDZPRJX-HXUWFJFHSA-N 1 2 507.812 4.641 50 30 KJEALO CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000009242604 553226265 /nfs/dbraw/zinc/22/62/65/553226265.db2.gz PQGRYVSDSUSCOK-SANMLTNESA-N 1 2 517.582 4.502 50 30 KJEALO CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000009243049 553226562 /nfs/dbraw/zinc/22/65/62/553226562.db2.gz PQGRYVSDSUSCOK-AREMUKBSSA-N 1 2 517.582 4.502 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1Cl)c1ccc(Br)cc1 ZINC000009271930 553231240 /nfs/dbraw/zinc/23/12/40/553231240.db2.gz VSAWIVFZONUNPM-HXUWFJFHSA-N 1 2 500.780 4.968 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1Cl)c1ccc(Br)cc1 ZINC000009271931 553231308 /nfs/dbraw/zinc/23/13/08/553231308.db2.gz VSAWIVFZONUNPM-FQEVSTJZSA-N 1 2 500.780 4.968 50 30 KJEALO Cc1cc(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000009273850 553232152 /nfs/dbraw/zinc/23/21/52/553232152.db2.gz CGZVLXAGFNDFEJ-QHCPKHFHSA-N 1 2 515.448 4.932 50 30 KJEALO Cc1cc(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000009273854 553232165 /nfs/dbraw/zinc/23/21/65/553232165.db2.gz CGZVLXAGFNDFEJ-HSZRJFAPSA-N 1 2 515.448 4.932 50 30 KJEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccc(C(C)(C)C)cc3)oc21 ZINC000009280249 553233139 /nfs/dbraw/zinc/23/31/39/553233139.db2.gz NILBENNINVOEAL-CJJGVWJISA-N 1 2 532.637 4.883 50 30 KJEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccc(C(C)(C)C)cc3)oc21 ZINC000009280252 553233159 /nfs/dbraw/zinc/23/31/59/553233159.db2.gz NILBENNINVOEAL-CZNAVJSXSA-N 1 2 532.637 4.883 50 30 KJEALO Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)o1 ZINC000009292989 553235334 /nfs/dbraw/zinc/23/53/34/553235334.db2.gz XTTHFMXCRURAFB-MUUNZHRXSA-N 1 2 530.621 4.776 50 30 KJEALO Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)o1 ZINC000009292990 553235327 /nfs/dbraw/zinc/23/53/27/553235327.db2.gz XTTHFMXCRURAFB-NDEPHWFRSA-N 1 2 530.621 4.776 50 30 KJEALO CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009334098 553243159 /nfs/dbraw/zinc/24/31/59/553243159.db2.gz AVBMCKOGIAQAMV-DFXXOVSGSA-N 1 2 520.670 4.736 50 30 KJEALO CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009340005 553243841 /nfs/dbraw/zinc/24/38/41/553243841.db2.gz AVBMCKOGIAQAMV-TXTDGAROSA-N 1 2 520.670 4.736 50 30 KJEALO CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009349699 553244936 /nfs/dbraw/zinc/24/49/36/553244936.db2.gz FPLFMSATHDYTJV-QFIPXVFZSA-N 1 2 501.421 4.624 50 30 KJEALO CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009349700 553244946 /nfs/dbraw/zinc/24/49/46/553244946.db2.gz FPLFMSATHDYTJV-JOCHJYFZSA-N 1 2 501.421 4.624 50 30 KJEALO CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000009358115 553247542 /nfs/dbraw/zinc/24/75/42/553247542.db2.gz KPRBDJRZJJGLFM-SIBVEZHUSA-N 1 2 501.583 4.664 50 30 KJEALO CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000009425210 553259345 /nfs/dbraw/zinc/25/93/45/553259345.db2.gz NUMAXWZXACPGEW-HHHXNRCGSA-N 1 2 531.609 4.892 50 30 KJEALO CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000009436419 553264509 /nfs/dbraw/zinc/26/45/09/553264509.db2.gz NUMAXWZXACPGEW-MHZLTWQESA-N 1 2 531.609 4.892 50 30 KJEALO CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000009436428 553264475 /nfs/dbraw/zinc/26/44/75/553264475.db2.gz KPRBDJRZJJGLFM-AFMDSPMNSA-N 1 2 501.583 4.664 50 30 KJEALO CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000009436445 553264592 /nfs/dbraw/zinc/26/45/92/553264592.db2.gz KPRBDJRZJJGLFM-NIYFSFCBSA-N 1 2 501.583 4.664 50 30 KJEALO CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000009436455 553264465 /nfs/dbraw/zinc/26/44/65/553264465.db2.gz KPRBDJRZJJGLFM-BCHFMIIMSA-N 1 2 501.583 4.664 50 30 KJEALO CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000009437166 553264546 /nfs/dbraw/zinc/26/45/46/553264546.db2.gz AYZBXIVPRGCXJD-HHHXNRCGSA-N 1 2 531.609 4.748 50 30 KJEALO CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000009437172 553264835 /nfs/dbraw/zinc/26/48/35/553264835.db2.gz AYZBXIVPRGCXJD-MHZLTWQESA-N 1 2 531.609 4.748 50 30 KJEALO CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000009451950 553265962 /nfs/dbraw/zinc/26/59/62/553265962.db2.gz DSBBKPLQCIBUPZ-MHZLTWQESA-N 1 2 531.609 4.892 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cccnc3)cc2)c1 ZINC000009462525 553268286 /nfs/dbraw/zinc/26/82/86/553268286.db2.gz NBTPMUSZWLDJEV-HHHXNRCGSA-N 1 2 508.578 4.834 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3cccnc3)cc2)c1 ZINC000009462527 553268349 /nfs/dbraw/zinc/26/83/49/553268349.db2.gz NBTPMUSZWLDJEV-MHZLTWQESA-N 1 2 508.578 4.834 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccncc3)cc2)c1 ZINC000009464173 553269403 /nfs/dbraw/zinc/26/94/03/553269403.db2.gz IKKWAQHFGJWOOK-HHHXNRCGSA-N 1 2 508.578 4.834 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccncc3)cc2)c1 ZINC000009464182 553269390 /nfs/dbraw/zinc/26/93/90/553269390.db2.gz IKKWAQHFGJWOOK-MHZLTWQESA-N 1 2 508.578 4.834 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000009993586 553324095 /nfs/dbraw/zinc/32/40/95/553324095.db2.gz LKDUCVMAOOVXEG-HHHXNRCGSA-N 1 2 506.643 4.818 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000009993589 553324042 /nfs/dbraw/zinc/32/40/42/553324042.db2.gz LKDUCVMAOOVXEG-MHZLTWQESA-N 1 2 506.643 4.818 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000009993592 553324169 /nfs/dbraw/zinc/32/41/69/553324169.db2.gz GAMIIYPZMFXFCJ-HHHXNRCGSA-N 1 2 520.670 4.992 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000009993593 553324088 /nfs/dbraw/zinc/32/40/88/553324088.db2.gz GAMIIYPZMFXFCJ-MHZLTWQESA-N 1 2 520.670 4.992 50 30 KJEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009993816 553324178 /nfs/dbraw/zinc/32/41/78/553324178.db2.gz KOGFHBUHIPHIRC-MUUNZHRXSA-N 1 2 534.653 4.649 50 30 KJEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009993818 553324122 /nfs/dbraw/zinc/32/41/22/553324122.db2.gz KOGFHBUHIPHIRC-NDEPHWFRSA-N 1 2 534.653 4.649 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000009993841 553324419 /nfs/dbraw/zinc/32/44/19/553324419.db2.gz OKEPCYVLAAIEMY-RUZDIDTESA-N 1 2 513.034 4.738 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000009993844 553324375 /nfs/dbraw/zinc/32/43/75/553324375.db2.gz OKEPCYVLAAIEMY-VWLOTQADSA-N 1 2 513.034 4.738 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000009994047 553324390 /nfs/dbraw/zinc/32/43/90/553324390.db2.gz LNGJLBKJCKQZLT-MUUNZHRXSA-N 1 2 518.654 4.984 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000009994048 553324439 /nfs/dbraw/zinc/32/44/39/553324439.db2.gz LNGJLBKJCKQZLT-NDEPHWFRSA-N 1 2 518.654 4.984 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000009994053 553324381 /nfs/dbraw/zinc/32/43/81/553324381.db2.gz MVIOKWMKDPQFDJ-RUZDIDTESA-N 1 2 511.018 4.514 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000009994054 553324393 /nfs/dbraw/zinc/32/43/93/553324393.db2.gz MVIOKWMKDPQFDJ-VWLOTQADSA-N 1 2 511.018 4.514 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000009994137 553324688 /nfs/dbraw/zinc/32/46/88/553324688.db2.gz MQZZHYXVNFESRI-HHHXNRCGSA-N 1 2 506.643 4.818 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000009994138 553324598 /nfs/dbraw/zinc/32/45/98/553324598.db2.gz MQZZHYXVNFESRI-MHZLTWQESA-N 1 2 506.643 4.818 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000009994139 553324655 /nfs/dbraw/zinc/32/46/55/553324655.db2.gz DNACPSYNNZRZKB-HHHXNRCGSA-N 1 2 520.670 4.992 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000009994140 553324735 /nfs/dbraw/zinc/32/47/35/553324735.db2.gz DNACPSYNNZRZKB-MHZLTWQESA-N 1 2 520.670 4.992 50 30 KJEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009994295 553324720 /nfs/dbraw/zinc/32/47/20/553324720.db2.gz JYJUUUCCKKOWDH-MUUNZHRXSA-N 1 2 534.653 4.649 50 30 KJEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009994296 553324637 /nfs/dbraw/zinc/32/46/37/553324637.db2.gz JYJUUUCCKKOWDH-NDEPHWFRSA-N 1 2 534.653 4.649 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000009994462 553324953 /nfs/dbraw/zinc/32/49/53/553324953.db2.gz ROYLCHXULPZLAF-MUUNZHRXSA-N 1 2 518.654 4.984 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000009994465 553324822 /nfs/dbraw/zinc/32/48/22/553324822.db2.gz ROYLCHXULPZLAF-NDEPHWFRSA-N 1 2 518.654 4.984 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000009994473 553324941 /nfs/dbraw/zinc/32/49/41/553324941.db2.gz XGUUHWADBXGHLM-RUZDIDTESA-N 1 2 511.018 4.514 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000009994475 553324901 /nfs/dbraw/zinc/32/49/01/553324901.db2.gz XGUUHWADBXGHLM-VWLOTQADSA-N 1 2 511.018 4.514 50 30 KJEALO CCOc1ccc(CC(N)=[NH+]OC(NC(=O)c2cccc(C)c2)(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000012412132 553363757 /nfs/dbraw/zinc/36/37/57/553363757.db2.gz GSVIHVBCXZSUID-UHFFFAOYSA-N 1 2 521.458 4.875 50 30 KJEALO CCOc1ccc(CC(N)=[NH+]OC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000012412134 553363749 /nfs/dbraw/zinc/36/37/49/553363749.db2.gz PBLJYMCXDLJVIC-UHFFFAOYSA-N 1 2 507.431 4.566 50 30 KJEALO CCOc1ccc(CC(N)=[NH+]OC(NC(=O)c2cccs2)(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000012412138 553363815 /nfs/dbraw/zinc/36/38/15/553363815.db2.gz AOEXFLQIIKDZHK-UHFFFAOYSA-N 1 2 513.460 4.628 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000013535431 553469504 /nfs/dbraw/zinc/46/95/04/553469504.db2.gz LECDBSRUZYXXLH-AREMUKBSSA-N 1 2 506.643 4.602 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000013535436 553469466 /nfs/dbraw/zinc/46/94/66/553469466.db2.gz LECDBSRUZYXXLH-SANMLTNESA-N 1 2 506.643 4.602 50 30 KJEALO CC(C)Cc1nc(N2CC[NH+](CC(=O)NC(c3ccccc3)c3ccccc3)CC2)c(C#N)c2c1CCC2 ZINC000013608192 553477531 /nfs/dbraw/zinc/47/75/31/553477531.db2.gz PVVHCNQIXQAYFN-UHFFFAOYSA-N 1 2 507.682 4.668 50 30 KJEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cnn1-c1ccccc1 ZINC000013643873 553479442 /nfs/dbraw/zinc/47/94/42/553479442.db2.gz DJGTVDOYKFQRFK-NDEPHWFRSA-N 1 2 528.653 4.605 50 30 KJEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cnn1-c1ccccc1 ZINC000013643878 553479423 /nfs/dbraw/zinc/47/94/23/553479423.db2.gz DJGTVDOYKFQRFK-MUUNZHRXSA-N 1 2 528.653 4.605 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000015724170 553535286 /nfs/dbraw/zinc/53/52/86/553535286.db2.gz DPMKLIXCWYJRJK-HXUWFJFHSA-N 1 2 500.780 4.968 50 30 KJEALO O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1 ZINC000015724170 553535283 /nfs/dbraw/zinc/53/52/83/553535283.db2.gz DPMKLIXCWYJRJK-HXUWFJFHSA-N 1 2 500.780 4.968 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000015724173 553535320 /nfs/dbraw/zinc/53/53/20/553535320.db2.gz DPMKLIXCWYJRJK-FQEVSTJZSA-N 1 2 500.780 4.968 50 30 KJEALO O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Br)cc1 ZINC000015724173 553535318 /nfs/dbraw/zinc/53/53/18/553535318.db2.gz DPMKLIXCWYJRJK-FQEVSTJZSA-N 1 2 500.780 4.968 50 30 KJEALO O=C([O-])c1ccc(NC(=[NH+]CCc2ccccc2)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000015782773 553536381 /nfs/dbraw/zinc/53/63/81/553536381.db2.gz PESNSNVQVZYYDA-UHFFFAOYSA-N 1 2 507.034 4.555 50 30 KJEALO O=C([O-])c1cccc(NC(=[NH+]CCc2ccccc2)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000015786627 553536802 /nfs/dbraw/zinc/53/68/02/553536802.db2.gz FHDOAAHZMDGDAC-UHFFFAOYSA-N 1 2 507.034 4.555 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000015924622 553542199 /nfs/dbraw/zinc/54/21/99/553542199.db2.gz ZADSAMSVNZVBMY-PPHZAIPVSA-N 1 2 531.609 4.673 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000015924624 553542247 /nfs/dbraw/zinc/54/22/47/553542247.db2.gz ZADSAMSVNZVBMY-UZTOHYMASA-N 1 2 531.609 4.673 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000015924626 553542212 /nfs/dbraw/zinc/54/22/12/553542212.db2.gz ZADSAMSVNZVBMY-WINIVTDRSA-N 1 2 531.609 4.673 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000015924627 553542278 /nfs/dbraw/zinc/54/22/78/553542278.db2.gz ZADSAMSVNZVBMY-XHCCPWGMSA-N 1 2 531.609 4.673 50 30 KJEALO C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000015934760 553542538 /nfs/dbraw/zinc/54/25/38/553542538.db2.gz GOEPSUOOWMGHMI-WAIKUNEKSA-N 1 2 522.399 4.638 50 30 KJEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000015934760 553542536 /nfs/dbraw/zinc/54/25/36/553542536.db2.gz GOEPSUOOWMGHMI-WAIKUNEKSA-N 1 2 522.399 4.638 50 30 KJEALO C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000015934761 553542641 /nfs/dbraw/zinc/54/26/41/553542641.db2.gz GOEPSUOOWMGHMI-QMHKHESXSA-N 1 2 522.399 4.638 50 30 KJEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000015934761 553542638 /nfs/dbraw/zinc/54/26/38/553542638.db2.gz GOEPSUOOWMGHMI-QMHKHESXSA-N 1 2 522.399 4.638 50 30 KJEALO C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000015934762 553542553 /nfs/dbraw/zinc/54/25/53/553542553.db2.gz GOEPSUOOWMGHMI-MWTRTKDXSA-N 1 2 522.399 4.638 50 30 KJEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000015934762 553542551 /nfs/dbraw/zinc/54/25/51/553542551.db2.gz GOEPSUOOWMGHMI-MWTRTKDXSA-N 1 2 522.399 4.638 50 30 KJEALO C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000015934763 553542582 /nfs/dbraw/zinc/54/25/82/553542582.db2.gz GOEPSUOOWMGHMI-HJPURHCSSA-N 1 2 522.399 4.638 50 30 KJEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000015934763 553542579 /nfs/dbraw/zinc/54/25/79/553542579.db2.gz GOEPSUOOWMGHMI-HJPURHCSSA-N 1 2 522.399 4.638 50 30 KJEALO COc1ccc(N2C(=O)C[C@@H](SC(Nc3ccccc3)=[NH+]CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000016677659 553571717 /nfs/dbraw/zinc/57/17/17/553571717.db2.gz DLUDFMQLEZCPNA-RUZDIDTESA-N 1 2 519.623 4.598 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccc2F)c(C)c1 ZINC000016713756 553575193 /nfs/dbraw/zinc/57/51/93/553575193.db2.gz RLYBRLZCVGVLAY-AREMUKBSSA-N 1 2 510.606 4.614 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2F)c(C)c1 ZINC000016713758 553575187 /nfs/dbraw/zinc/57/51/87/553575187.db2.gz RLYBRLZCVGVLAY-SANMLTNESA-N 1 2 510.606 4.614 50 30 KJEALO Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccc(Br)c1 ZINC000016713804 553575359 /nfs/dbraw/zinc/57/53/59/553575359.db2.gz SVEGLNWWCWXAAS-HSZRJFAPSA-N 1 2 515.448 4.932 50 30 KJEALO Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccc(Br)c1 ZINC000016713806 553575371 /nfs/dbraw/zinc/57/53/71/553575371.db2.gz SVEGLNWWCWXAAS-QHCPKHFHSA-N 1 2 515.448 4.932 50 30 KJEALO C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000016732527 553577718 /nfs/dbraw/zinc/57/77/18/553577718.db2.gz UDHZLJVPVNJVAZ-HSZRJFAPSA-N 1 2 522.399 4.879 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000016732527 553577716 /nfs/dbraw/zinc/57/77/16/553577716.db2.gz UDHZLJVPVNJVAZ-HSZRJFAPSA-N 1 2 522.399 4.879 50 30 KJEALO C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000016732530 553577747 /nfs/dbraw/zinc/57/77/47/553577747.db2.gz UDHZLJVPVNJVAZ-QHCPKHFHSA-N 1 2 522.399 4.879 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000016732530 553577745 /nfs/dbraw/zinc/57/77/45/553577745.db2.gz UDHZLJVPVNJVAZ-QHCPKHFHSA-N 1 2 522.399 4.879 50 30 KJEALO CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000016733321 553577950 /nfs/dbraw/zinc/57/79/50/553577950.db2.gz UUCCKZBSMRCMQM-JOCHJYFZSA-N 1 2 501.421 4.686 50 30 KJEALO CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000016733324 553577920 /nfs/dbraw/zinc/57/79/20/553577920.db2.gz UUCCKZBSMRCMQM-QFIPXVFZSA-N 1 2 501.421 4.686 50 30 KJEALO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC)c(Cl)c3)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1O ZINC000016733689 553578186 /nfs/dbraw/zinc/57/81/86/553578186.db2.gz COYZAGBNCSSQHX-XMMPIXPASA-N 1 2 525.989 4.708 50 30 KJEALO CCOc1cc([C@H]2C(C(=O)c3ccc(OCC)c(Cl)c3)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1O ZINC000016733692 553578123 /nfs/dbraw/zinc/57/81/23/553578123.db2.gz COYZAGBNCSSQHX-DEOSSOPVSA-N 1 2 525.989 4.708 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000016734143 553578313 /nfs/dbraw/zinc/57/83/13/553578313.db2.gz MEACLZBRDMARPR-VWLOTQADSA-N 1 2 513.034 4.820 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000016734146 553578254 /nfs/dbraw/zinc/57/82/54/553578254.db2.gz MEACLZBRDMARPR-RUZDIDTESA-N 1 2 513.034 4.820 50 30 KJEALO O=C(c1cccs1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000016734852 553578679 /nfs/dbraw/zinc/57/86/79/553578679.db2.gz MLQQRPRJVJPGKQ-AREMUKBSSA-N 1 2 518.635 4.628 50 30 KJEALO O=C(c1cccs1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000016734855 553578642 /nfs/dbraw/zinc/57/86/42/553578642.db2.gz MLQQRPRJVJPGKQ-SANMLTNESA-N 1 2 518.635 4.628 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000018021277 553601486 /nfs/dbraw/zinc/60/14/86/553601486.db2.gz VGLQJZAAWGCOGX-JOCHJYFZSA-N 1 2 510.388 4.713 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000018021277 553601483 /nfs/dbraw/zinc/60/14/83/553601483.db2.gz VGLQJZAAWGCOGX-JOCHJYFZSA-N 1 2 510.388 4.713 50 30 KJEALO CC[NH+]=C(Nc1ccc(Br)cc1)S[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000018090080 553604132 /nfs/dbraw/zinc/60/41/32/553604132.db2.gz KHNNBZSLNVWRSC-INIZCTEOSA-N 1 2 511.239 4.874 50 30 KJEALO CCOc1ccc(NC(=[NH+]Cc2ccc3c(c2)OCO3)S[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000018205715 553610492 /nfs/dbraw/zinc/61/04/92/553610492.db2.gz JLJGOMNYIRFYSM-XMMPIXPASA-N 1 2 503.580 4.847 50 30 KJEALO Cc1ccc(/N=C2/c3ccccc3N(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1Br ZINC000019370832 553614595 /nfs/dbraw/zinc/61/45/95/553614595.db2.gz JPHQBRQCOQLFCI-IKPAITLHSA-N 1 2 547.453 4.729 50 30 KJEALO CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000019938339 553637566 /nfs/dbraw/zinc/63/75/66/553637566.db2.gz SLGDZWZZTBPVJV-NDEPHWFRSA-N 1 2 520.670 4.893 50 30 KJEALO CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000019938340 553637726 /nfs/dbraw/zinc/63/77/26/553637726.db2.gz SLGDZWZZTBPVJV-MUUNZHRXSA-N 1 2 520.670 4.893 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000019997221 553652905 /nfs/dbraw/zinc/65/29/05/553652905.db2.gz LZVITOWNRWSVEP-OAQYLSRUSA-N 1 2 509.817 4.947 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000019997225 553652854 /nfs/dbraw/zinc/65/28/54/553652854.db2.gz LZVITOWNRWSVEP-NRFANRHFSA-N 1 2 509.817 4.947 50 30 KJEALO Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020066009 553675735 /nfs/dbraw/zinc/67/57/35/553675735.db2.gz KTMHSPVFCRITAT-HHHXNRCGSA-N 1 2 506.643 4.639 50 30 KJEALO Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020066011 553675692 /nfs/dbraw/zinc/67/56/92/553675692.db2.gz KTMHSPVFCRITAT-MHZLTWQESA-N 1 2 506.643 4.639 50 30 KJEALO CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020081081 553680179 /nfs/dbraw/zinc/68/01/79/553680179.db2.gz MSYUGKHMROOYOV-NDEPHWFRSA-N 1 2 520.670 4.893 50 30 KJEALO CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020081085 553680172 /nfs/dbraw/zinc/68/01/72/553680172.db2.gz MSYUGKHMROOYOV-MUUNZHRXSA-N 1 2 520.670 4.893 50 30 KJEALO Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020101352 553687134 /nfs/dbraw/zinc/68/71/34/553687134.db2.gz XSESHTNTWMBIJI-HHHXNRCGSA-N 1 2 506.643 4.639 50 30 KJEALO Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020101355 553687102 /nfs/dbraw/zinc/68/71/02/553687102.db2.gz XSESHTNTWMBIJI-MHZLTWQESA-N 1 2 506.643 4.639 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020102951 553687638 /nfs/dbraw/zinc/68/76/38/553687638.db2.gz UNUMNDFCZKOJPE-NDEPHWFRSA-N 1 2 536.669 4.729 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020102954 553687616 /nfs/dbraw/zinc/68/76/16/553687616.db2.gz UNUMNDFCZKOJPE-MUUNZHRXSA-N 1 2 536.669 4.729 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020130176 553591379 /nfs/dbraw/zinc/59/13/79/553591379.db2.gz WWHIDNTVICKZAI-NDEPHWFRSA-N 1 2 536.669 4.729 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020130178 553591430 /nfs/dbraw/zinc/59/14/30/553591430.db2.gz WWHIDNTVICKZAI-MUUNZHRXSA-N 1 2 536.669 4.729 50 30 KJEALO O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000020191594 553605873 /nfs/dbraw/zinc/60/58/73/553605873.db2.gz KWRYAWVDHQUSHG-VFUOJUBFSA-N 1 2 501.410 4.694 50 30 KJEALO O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000020191598 553605898 /nfs/dbraw/zinc/60/58/98/553605898.db2.gz KWRYAWVDHQUSHG-REXAPNPKSA-N 1 2 501.410 4.694 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000020192470 553606256 /nfs/dbraw/zinc/60/62/56/553606256.db2.gz DGQUAMSTGBFNGW-VWLOTQADSA-N 1 2 513.034 4.773 50 30 KJEALO CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000020219214 553614702 /nfs/dbraw/zinc/61/47/02/553614702.db2.gz LFHZOIHZQYFZNS-MHZLTWQESA-N 1 2 522.642 4.563 50 30 KJEALO CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000020219215 553614726 /nfs/dbraw/zinc/61/47/26/553614726.db2.gz LFHZOIHZQYFZNS-HHHXNRCGSA-N 1 2 522.642 4.563 50 30 KJEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccc(C(C)C)cc3)oc21 ZINC000020219370 553614693 /nfs/dbraw/zinc/61/46/93/553614693.db2.gz CDUHJKIVFVKBQE-AREMUKBSSA-N 1 2 518.610 4.865 50 30 KJEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccc(C(C)C)cc3)oc21 ZINC000020219371 553614759 /nfs/dbraw/zinc/61/47/59/553614759.db2.gz CDUHJKIVFVKBQE-SANMLTNESA-N 1 2 518.610 4.865 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020219759 553615374 /nfs/dbraw/zinc/61/53/74/553615374.db2.gz YRFISNQHCZTCMR-MHZLTWQESA-N 1 2 522.642 4.563 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020219760 553615413 /nfs/dbraw/zinc/61/54/13/553615413.db2.gz YRFISNQHCZTCMR-HHHXNRCGSA-N 1 2 522.642 4.563 50 30 KJEALO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020219761 553615493 /nfs/dbraw/zinc/61/54/93/553615493.db2.gz BBWCXIHWCORGMG-MHZLTWQESA-N 1 2 522.642 4.562 50 30 KJEALO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020219762 553615488 /nfs/dbraw/zinc/61/54/88/553615488.db2.gz BBWCXIHWCORGMG-HHHXNRCGSA-N 1 2 522.642 4.562 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccccc3)cc2)c1 ZINC000020228180 553616348 /nfs/dbraw/zinc/61/63/48/553616348.db2.gz MZDAEZLUOUBGOQ-GDLZYMKVSA-N 1 2 526.633 4.875 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccccc3)cc2)c1 ZINC000020228183 553616444 /nfs/dbraw/zinc/61/64/44/553616444.db2.gz MZDAEZLUOUBGOQ-LJAQVGFWSA-N 1 2 526.633 4.875 50 30 KJEALO CCc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020234409 553620313 /nfs/dbraw/zinc/62/03/13/553620313.db2.gz ZZQNOQMOEIGBQF-MHZLTWQESA-N 1 2 506.643 4.645 50 30 KJEALO CCc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020234413 553620290 /nfs/dbraw/zinc/62/02/90/553620290.db2.gz ZZQNOQMOEIGBQF-HHHXNRCGSA-N 1 2 506.643 4.645 50 30 KJEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@@H]1c1ccc(C)cc1 ZINC000020309071 553636349 /nfs/dbraw/zinc/63/63/49/553636349.db2.gz FMEUWCJSOPYZKU-QFIPXVFZSA-N 1 2 501.421 4.773 50 30 KJEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@H]1c1ccc(C)cc1 ZINC000020309074 553636327 /nfs/dbraw/zinc/63/63/27/553636327.db2.gz FMEUWCJSOPYZKU-JOCHJYFZSA-N 1 2 501.421 4.773 50 30 KJEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@@H]1c1ccc(F)cc1 ZINC000020309251 553636335 /nfs/dbraw/zinc/63/63/35/553636335.db2.gz NXBRZXNMJNABLX-NRFANRHFSA-N 1 2 505.384 4.604 50 30 KJEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@H]1c1ccc(F)cc1 ZINC000020309254 553636288 /nfs/dbraw/zinc/63/62/88/553636288.db2.gz NXBRZXNMJNABLX-OAQYLSRUSA-N 1 2 505.384 4.604 50 30 KJEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@@H]1c1ccccc1F ZINC000020309270 553636910 /nfs/dbraw/zinc/63/69/10/553636910.db2.gz FVWYOGQFBYHJPG-NRFANRHFSA-N 1 2 505.384 4.604 50 30 KJEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@H]1c1ccccc1F ZINC000020309273 553636767 /nfs/dbraw/zinc/63/67/67/553636767.db2.gz FVWYOGQFBYHJPG-OAQYLSRUSA-N 1 2 505.384 4.604 50 30 KJEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@@H]1c1cccc(F)c1 ZINC000020309275 553636760 /nfs/dbraw/zinc/63/67/60/553636760.db2.gz CNBKCXPMXOUUIE-NRFANRHFSA-N 1 2 505.384 4.604 50 30 KJEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@H]1c1cccc(F)c1 ZINC000020309278 553636738 /nfs/dbraw/zinc/63/67/38/553636738.db2.gz CNBKCXPMXOUUIE-OAQYLSRUSA-N 1 2 505.384 4.604 50 30 KJEALO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@@H]1c1ccc(Cl)cc1 ZINC000020309288 553636845 /nfs/dbraw/zinc/63/68/45/553636845.db2.gz DIGIUOHJMYCBFP-FQEVSTJZSA-N 1 2 507.812 4.728 50 30 KJEALO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@H]1c1ccc(Cl)cc1 ZINC000020309291 553636661 /nfs/dbraw/zinc/63/66/61/553636661.db2.gz DIGIUOHJMYCBFP-HXUWFJFHSA-N 1 2 507.812 4.728 50 30 KJEALO CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020390017 553644638 /nfs/dbraw/zinc/64/46/38/553644638.db2.gz FXKMSDUJTIYMIY-MHZLTWQESA-N 1 2 506.643 4.584 50 30 KJEALO CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020390022 553644683 /nfs/dbraw/zinc/64/46/83/553644683.db2.gz FXKMSDUJTIYMIY-HHHXNRCGSA-N 1 2 506.643 4.584 50 30 KJEALO Cc1cccc(N2CC[N@H+](CN3c4ccccc4/C(=N/NC(=S)Nc4cccc(C)c4C)C3=O)C[C@H]2C)c1 ZINC000020685832 553688913 /nfs/dbraw/zinc/68/89/13/553688913.db2.gz YDOFMAUOVJZUAG-YZGDLLDSSA-N 1 2 526.710 4.817 50 30 KJEALO Cc1cccc(N2CC[N@@H+](CN3c4ccccc4/C(=N/NC(=S)Nc4cccc(C)c4C)C3=O)C[C@H]2C)c1 ZINC000020685832 553688910 /nfs/dbraw/zinc/68/89/10/553688910.db2.gz YDOFMAUOVJZUAG-YZGDLLDSSA-N 1 2 526.710 4.817 50 30 KJEALO Cc1cccc(N2CC[N@H+](CN3c4ccccc4/C(=N/NC(=S)Nc4cccc(C)c4C)C3=O)C[C@@H]2C)c1 ZINC000020685837 553688984 /nfs/dbraw/zinc/68/89/84/553688984.db2.gz YDOFMAUOVJZUAG-JDKCQKRRSA-N 1 2 526.710 4.817 50 30 KJEALO Cc1cccc(N2CC[N@@H+](CN3c4ccccc4/C(=N/NC(=S)Nc4cccc(C)c4C)C3=O)C[C@@H]2C)c1 ZINC000020685837 553688981 /nfs/dbraw/zinc/68/89/81/553688981.db2.gz YDOFMAUOVJZUAG-JDKCQKRRSA-N 1 2 526.710 4.817 50 30 KJEALO Cc1ccc(C[NH+]=C(Nc2ccc(C(=O)[O-])cc2)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000021046364 553705844 /nfs/dbraw/zinc/70/58/44/553705844.db2.gz YGYOQQXVTCQRON-UHFFFAOYSA-N 1 2 507.034 4.821 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000021486996 553710194 /nfs/dbraw/zinc/71/01/94/553710194.db2.gz XYBHSFSTYVMVGX-RUZDIDTESA-N 1 2 513.034 4.738 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000021486997 553710197 /nfs/dbraw/zinc/71/01/97/553710197.db2.gz XYBHSFSTYVMVGX-VWLOTQADSA-N 1 2 513.034 4.738 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000023230795 553771706 /nfs/dbraw/zinc/77/17/06/553771706.db2.gz SGJCYWGAMXDJKH-MUUNZHRXSA-N 1 2 528.605 4.788 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000023230798 553771689 /nfs/dbraw/zinc/77/16/89/553771689.db2.gz SGJCYWGAMXDJKH-NDEPHWFRSA-N 1 2 528.605 4.788 50 30 KJEALO COc1cccc(NC(=O)N2CC[NH+](C[C@@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)c1 ZINC000023432084 553775898 /nfs/dbraw/zinc/77/58/98/553775898.db2.gz YAPRPWNPAOZQKD-MUUNZHRXSA-N 1 2 500.599 4.683 50 30 KJEALO COc1cccc(NC(=O)N2CC[NH+](C[C@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)c1 ZINC000023432088 553775919 /nfs/dbraw/zinc/77/59/19/553775919.db2.gz YAPRPWNPAOZQKD-NDEPHWFRSA-N 1 2 500.599 4.683 50 30 KJEALO COc1cccc([C@@H](C[NH+]2CCN(C(=O)Nc3cc(F)ccc3F)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023437230 553777009 /nfs/dbraw/zinc/77/70/09/553777009.db2.gz FSLJMVKOZRJDLS-HHHXNRCGSA-N 1 2 506.553 4.953 50 30 KJEALO COc1cccc([C@H](C[NH+]2CCN(C(=O)Nc3cc(F)ccc3F)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023437233 553777095 /nfs/dbraw/zinc/77/70/95/553777095.db2.gz FSLJMVKOZRJDLS-MHZLTWQESA-N 1 2 506.553 4.953 50 30 KJEALO COc1cccc([C@@H](C[NH+]2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023437566 553777353 /nfs/dbraw/zinc/77/73/53/553777353.db2.gz HNEARZXZURNXGM-GDLZYMKVSA-N 1 2 509.610 4.741 50 30 KJEALO COc1cccc([C@H](C[NH+]2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023437569 553777350 /nfs/dbraw/zinc/77/73/50/553777350.db2.gz HNEARZXZURNXGM-LJAQVGFWSA-N 1 2 509.610 4.741 50 30 KJEALO COc1cccc([C@@H](C[NH+]2CCN(C(=O)c3cc(C)nc(Cl)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023440950 553778560 /nfs/dbraw/zinc/77/85/60/553778560.db2.gz GIGRUZRIGRGIBV-AREMUKBSSA-N 1 2 505.018 4.640 50 30 KJEALO COc1cccc([C@H](C[NH+]2CCN(C(=O)c3cc(C)nc(Cl)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023440952 553778466 /nfs/dbraw/zinc/77/84/66/553778466.db2.gz GIGRUZRIGRGIBV-SANMLTNESA-N 1 2 505.018 4.640 50 30 KJEALO N#Cc1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cccs3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023445790 553780024 /nfs/dbraw/zinc/78/00/24/553780024.db2.gz OEZZWDNLXHLRPJ-HHHXNRCGSA-N 1 2 500.668 4.936 50 30 KJEALO N#Cc1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cccs3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023445793 553780018 /nfs/dbraw/zinc/78/00/18/553780018.db2.gz OEZZWDNLXHLRPJ-MHZLTWQESA-N 1 2 500.668 4.936 50 30 KJEALO Cc1cccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c2ccc(Cl)cc2)c1 ZINC000023448584 553781398 /nfs/dbraw/zinc/78/13/98/553781398.db2.gz XRVOASNPFINXFC-MHZLTWQESA-N 1 2 510.059 4.785 50 30 KJEALO Cc1cccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c2ccc(Cl)cc2)c1 ZINC000023448587 553781393 /nfs/dbraw/zinc/78/13/93/553781393.db2.gz XRVOASNPFINXFC-HHHXNRCGSA-N 1 2 510.059 4.785 50 30 KJEALO COc1cccc(C(=O)N2CC[NH+](C[C@@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)c1 ZINC000023449175 553781390 /nfs/dbraw/zinc/78/13/90/553781390.db2.gz QXOQIPHVAJHHHK-WJOKGBTCSA-N 1 2 524.665 4.883 50 30 KJEALO COc1cccc(C(=O)N2CC[NH+](C[C@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)c1 ZINC000023449179 553781638 /nfs/dbraw/zinc/78/16/38/553781638.db2.gz QXOQIPHVAJHHHK-HKBQPEDESA-N 1 2 524.665 4.883 50 30 KJEALO N#Cc1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc(C#N)cc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023449236 553781657 /nfs/dbraw/zinc/78/16/57/553781657.db2.gz YSYCHYUDARGYJC-WJOKGBTCSA-N 1 2 519.649 4.746 50 30 KJEALO N#Cc1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc(C#N)cc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023449239 553781683 /nfs/dbraw/zinc/78/16/83/553781683.db2.gz YSYCHYUDARGYJC-HKBQPEDESA-N 1 2 519.649 4.746 50 30 KJEALO Cc1cccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccc(Cl)cc2)c1 ZINC000023449905 553781704 /nfs/dbraw/zinc/78/17/04/553781704.db2.gz HZMDMTYHWZTRPD-SANMLTNESA-N 1 2 510.059 4.785 50 30 KJEALO Cc1cccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccc(Cl)cc2)c1 ZINC000023449908 553781728 /nfs/dbraw/zinc/78/17/28/553781728.db2.gz HZMDMTYHWZTRPD-AREMUKBSSA-N 1 2 510.059 4.785 50 30 KJEALO N#Cc1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cccc(C#N)c3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023450060 553781719 /nfs/dbraw/zinc/78/17/19/553781719.db2.gz FDWFTQAJZUJUMR-WJOKGBTCSA-N 1 2 519.649 4.746 50 30 KJEALO N#Cc1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cccc(C#N)c3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023450063 553781919 /nfs/dbraw/zinc/78/19/19/553781919.db2.gz FDWFTQAJZUJUMR-HKBQPEDESA-N 1 2 519.649 4.746 50 30 KJEALO COc1ccccc1C(=O)N1CC[NH+](C[C@@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000023450268 553781874 /nfs/dbraw/zinc/78/18/74/553781874.db2.gz RRAKEPVMNDHAGZ-WJOKGBTCSA-N 1 2 524.665 4.883 50 30 KJEALO COc1ccccc1C(=O)N1CC[NH+](C[C@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000023450272 553781909 /nfs/dbraw/zinc/78/19/09/553781909.db2.gz RRAKEPVMNDHAGZ-HKBQPEDESA-N 1 2 524.665 4.883 50 30 KJEALO CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000024080641 553788464 /nfs/dbraw/zinc/78/84/64/553788464.db2.gz VECALQWBQNAWEM-JOCHJYFZSA-N 1 2 501.421 4.686 50 30 KJEALO CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)cc1C ZINC000024080644 553788405 /nfs/dbraw/zinc/78/84/05/553788405.db2.gz VECALQWBQNAWEM-QFIPXVFZSA-N 1 2 501.421 4.686 50 30 KJEALO CC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1 ZINC000029493406 553846334 /nfs/dbraw/zinc/84/63/34/553846334.db2.gz GSSXBTNNICCXKM-UHFFFAOYSA-N 1 2 620.731 4.621 50 30 KJEALO CCN(CC)C(=O)[C@@H]1CCCN(c2ccccc2C=[NH+]Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCCCC2)C1 ZINC000029501104 553846260 /nfs/dbraw/zinc/84/62/60/553846260.db2.gz WNYYEFXISDFKIG-UCTFJTRWSA-N 1 2 584.743 4.690 50 30 KJEALO CCN(CC)C(=O)[C@H]1CCCN(c2ccccc2C=[NH+]Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCCCC2)C1 ZINC000029501111 553846316 /nfs/dbraw/zinc/84/63/16/553846316.db2.gz WNYYEFXISDFKIG-YBMXKYEKSA-N 1 2 584.743 4.690 50 30 KJEALO CCOc1ccc(CC(N)=[NH+]OC(NC(=O)c2cccc(OC)c2)(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000033354963 553932582 /nfs/dbraw/zinc/93/25/82/553932582.db2.gz UNOFOYOVMFMCPZ-UHFFFAOYSA-N 1 2 537.457 4.575 50 30 KJEALO C=CC[NH+]1CCN(C(=O)[C@H](CC)Oc2ccc3c(c2)[C@H](c2ccccc2)N(C(=O)CC(C)C)CC3)CC1 ZINC000034685577 553987040 /nfs/dbraw/zinc/98/70/40/553987040.db2.gz NFEIYGYWAJQJKA-JDXGNMNLSA-N 1 2 503.687 4.694 50 30 KJEALO C=CC[NH+]1CCN(C(=O)[C@@H](CC)Oc2ccc3c(c2)[C@H](c2ccccc2)N(C(=O)CC(C)C)CC3)CC1 ZINC000034685578 553986978 /nfs/dbraw/zinc/98/69/78/553986978.db2.gz NFEIYGYWAJQJKA-DGPALRBDSA-N 1 2 503.687 4.694 50 30 KJEALO C=CC[NH+]1CCN(C(=O)[C@H](CC)Oc2ccc3c(c2)[C@@H](c2ccccc2)N(C(=O)CC(C)C)CC3)CC1 ZINC000034685579 553987026 /nfs/dbraw/zinc/98/70/26/553987026.db2.gz NFEIYGYWAJQJKA-MFMCTBQISA-N 1 2 503.687 4.694 50 30 KJEALO C=CC[NH+]1CCN(C(=O)[C@@H](CC)Oc2ccc3c(c2)[C@@H](c2ccccc2)N(C(=O)CC(C)C)CC3)CC1 ZINC000034685580 553986982 /nfs/dbraw/zinc/98/69/82/553986982.db2.gz NFEIYGYWAJQJKA-PQHLKRTFSA-N 1 2 503.687 4.694 50 30 KJEALO C=CC[NH+]1CCN(C(=O)[C@H](CC)Oc2ccc3c(c2)[C@H](c2cccc(F)c2)N(C(=O)CC(C)C)CC3)CC1 ZINC000034685625 553987401 /nfs/dbraw/zinc/98/74/01/553987401.db2.gz CTFLJDHWJGQWHT-JDXGNMNLSA-N 1 2 521.677 4.834 50 30 KJEALO C=CC[NH+]1CCN(C(=O)[C@@H](CC)Oc2ccc3c(c2)[C@H](c2cccc(F)c2)N(C(=O)CC(C)C)CC3)CC1 ZINC000034685626 553987416 /nfs/dbraw/zinc/98/74/16/553987416.db2.gz CTFLJDHWJGQWHT-DGPALRBDSA-N 1 2 521.677 4.834 50 30 KJEALO C=CC[NH+]1CCN(C(=O)[C@H](CC)Oc2ccc3c(c2)[C@@H](c2cccc(F)c2)N(C(=O)CC(C)C)CC3)CC1 ZINC000034685627 553987303 /nfs/dbraw/zinc/98/73/03/553987303.db2.gz CTFLJDHWJGQWHT-MFMCTBQISA-N 1 2 521.677 4.834 50 30 KJEALO C=CC[NH+]1CCN(C(=O)[C@@H](CC)Oc2ccc3c(c2)[C@@H](c2cccc(F)c2)N(C(=O)CC(C)C)CC3)CC1 ZINC000034685628 553987443 /nfs/dbraw/zinc/98/74/43/553987443.db2.gz CTFLJDHWJGQWHT-PQHLKRTFSA-N 1 2 521.677 4.834 50 30 KJEALO C=CC[NH+]1CCN(C(=O)[C@H](CC)Oc2ccc3c(c2)[C@H](c2ccc(F)cc2)N(C(=O)C2CCCC2)CC3)CC1 ZINC000034685663 553987342 /nfs/dbraw/zinc/98/73/42/553987342.db2.gz LTDSMEQWZRQRGL-KYJUHHDHSA-N 1 2 533.688 4.978 50 30 KJEALO C=CC[NH+]1CCN(C(=O)[C@@H](CC)Oc2ccc3c(c2)[C@H](c2ccc(F)cc2)N(C(=O)C2CCCC2)CC3)CC1 ZINC000034685664 553987317 /nfs/dbraw/zinc/98/73/17/553987317.db2.gz LTDSMEQWZRQRGL-IHLOFXLRSA-N 1 2 533.688 4.978 50 30 KJEALO C=CC[NH+]1CCN(C(=O)[C@H](CC)Oc2ccc3c(c2)[C@@H](c2ccc(F)cc2)N(C(=O)C2CCCC2)CC3)CC1 ZINC000034685665 553987282 /nfs/dbraw/zinc/98/72/82/553987282.db2.gz LTDSMEQWZRQRGL-XZWHSSHBSA-N 1 2 533.688 4.978 50 30 KJEALO C=CC[NH+]1CCN(C(=O)[C@@H](CC)Oc2ccc3c(c2)[C@@H](c2ccc(F)cc2)N(C(=O)C2CCCC2)CC3)CC1 ZINC000034685666 553987461 /nfs/dbraw/zinc/98/74/61/553987461.db2.gz LTDSMEQWZRQRGL-LOYHVIPDSA-N 1 2 533.688 4.978 50 30 KJEALO C=CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)[C@@H](c2cccc(C)c2)N(C(=O)c2ccccc2)CC3)CC1 ZINC000034685711 553987783 /nfs/dbraw/zinc/98/77/83/553987783.db2.gz YKGYULTVIGZECP-VVFBEHOQSA-N 1 2 523.677 4.880 50 30 KJEALO C=CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)[C@H](c2cccc(C)c2)N(C(=O)c2ccccc2)CC3)CC1 ZINC000034685712 553987731 /nfs/dbraw/zinc/98/77/31/553987731.db2.gz YKGYULTVIGZECP-FKAPRUDGSA-N 1 2 523.677 4.880 50 30 KJEALO C=CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)[C@@H](c2cccc(C)c2)N(C(=O)c2ccccc2)CC3)CC1 ZINC000034685713 553987650 /nfs/dbraw/zinc/98/76/50/553987650.db2.gz YKGYULTVIGZECP-OOWIMERYSA-N 1 2 523.677 4.880 50 30 KJEALO C=CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)[C@H](c2cccc(C)c2)N(C(=O)c2ccccc2)CC3)CC1 ZINC000034685714 553987791 /nfs/dbraw/zinc/98/77/91/553987791.db2.gz YKGYULTVIGZECP-NJHZRGNWSA-N 1 2 523.677 4.880 50 30 KJEALO C=CC[NH+]1CCN(C(=O)c2ccc(COc3ccc4c(c3)[C@H](c3ccccc3)N(C(=O)C(C)C)CC4)o2)CC1 ZINC000034685739 553987679 /nfs/dbraw/zinc/98/76/79/553987679.db2.gz BVALYWNHKVJPDG-PMERELPUSA-N 1 2 527.665 4.933 50 30 KJEALO C=CC[NH+]1CCN(C(=O)c2ccc(COc3ccc4c(c3)[C@@H](c3ccccc3)N(C(=O)C(C)C)CC4)o2)CC1 ZINC000034685740 553987691 /nfs/dbraw/zinc/98/76/91/553987691.db2.gz BVALYWNHKVJPDG-SSEXGKCCSA-N 1 2 527.665 4.933 50 30 KJEALO C=CC[NH+]1CCN(C(=O)c2ccc(COc3ccc4c(c3)[C@H](c3cccc(C)c3)N(C(=O)CC)CC4)o2)CC1 ZINC000034685767 553988045 /nfs/dbraw/zinc/98/80/45/553988045.db2.gz VOMSOTYKJUXKEN-HKBQPEDESA-N 1 2 527.665 4.995 50 30 KJEALO C=CC[NH+]1CCN(C(=O)c2ccc(COc3ccc4c(c3)[C@@H](c3cccc(C)c3)N(C(=O)CC)CC4)o2)CC1 ZINC000034685768 553988088 /nfs/dbraw/zinc/98/80/88/553988088.db2.gz VOMSOTYKJUXKEN-WJOKGBTCSA-N 1 2 527.665 4.995 50 30 KJEALO COc1cccc([C@@H](C[NH+]2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)OCc2ccc(C#N)cc2)c1 ZINC000034915570 554029929 /nfs/dbraw/zinc/02/99/29/554029929.db2.gz VYYIQASJYSTOMC-GDLZYMKVSA-N 1 2 530.625 4.692 50 30 KJEALO COc1cccc([C@H](C[NH+]2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)OCc2ccc(C#N)cc2)c1 ZINC000034915571 554029765 /nfs/dbraw/zinc/02/97/65/554029765.db2.gz VYYIQASJYSTOMC-LJAQVGFWSA-N 1 2 530.625 4.692 50 30 KJEALO C#CCOC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036302529 554212366 /nfs/dbraw/zinc/21/23/66/554212366.db2.gz OQCJMXWGKJTNCT-DEOSSOPVSA-N 1 2 501.583 4.588 50 30 KJEALO C#CCOC[C@@H](O)C[N@H+](Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036302529 554212363 /nfs/dbraw/zinc/21/23/63/554212363.db2.gz OQCJMXWGKJTNCT-DEOSSOPVSA-N 1 2 501.583 4.588 50 30 KJEALO C#CCOC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036302532 554212964 /nfs/dbraw/zinc/21/29/64/554212964.db2.gz OQCJMXWGKJTNCT-XMMPIXPASA-N 1 2 501.583 4.588 50 30 KJEALO C#CCOC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036302532 554212960 /nfs/dbraw/zinc/21/29/60/554212960.db2.gz OQCJMXWGKJTNCT-XMMPIXPASA-N 1 2 501.583 4.588 50 30 KJEALO COc1ccc(N2CC[NH+](Cc3c4c(c(C)cc3O)C(=O)/C(=C/c3cccc(OC)c3OC)O4)CC2)cc1 ZINC000041585710 554296368 /nfs/dbraw/zinc/29/63/68/554296368.db2.gz DLCRSNPRNZYGMI-ONUIUJJFSA-N 1 2 516.594 4.665 50 30 KJEALO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000044459977 554302122 /nfs/dbraw/zinc/30/21/22/554302122.db2.gz NSOKKFLUEXHXBM-WJOKGBTCSA-N 1 2 586.685 4.979 50 30 KJEALO Cc1ccc(C[NH+]=C(Nc2cccc(C(=O)[O-])c2)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000046021759 554319048 /nfs/dbraw/zinc/31/90/48/554319048.db2.gz NRUPRBXDBKJWRC-UHFFFAOYSA-N 1 2 507.034 4.821 50 30 KJEALO O=C([O-])c1cccc(NC(=[NH+]Cc2ccc(F)cc2)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000046021772 554319154 /nfs/dbraw/zinc/31/91/54/554319154.db2.gz QWZJPXDLFDBRAG-UHFFFAOYSA-N 1 2 510.997 4.651 50 30 KJEALO CN(C)c1nc(NC=NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)nc(NCc2ccccc2)[nH+]1 ZINC000055184933 554350294 /nfs/dbraw/zinc/35/02/94/554350294.db2.gz ADEZJZWTQULCAH-UHFFFAOYSA-N 1 2 506.954 4.821 50 30 KJEALO N#C[C@H](c1nc2ccccc2nc1N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000057061426 554352230 /nfs/dbraw/zinc/35/22/30/554352230.db2.gz GHLGYKDWLKANFO-RUZDIDTESA-N 1 2 518.042 4.644 50 30 KJEALO N#C[C@@H](c1nc2ccccc2nc1N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000057061427 554352293 /nfs/dbraw/zinc/35/22/93/554352293.db2.gz GHLGYKDWLKANFO-VWLOTQADSA-N 1 2 518.042 4.644 50 30 KJEALO O=[N+]([O-])c1ccc(N2CC[NH+](CC#CC[C@](O)(c3ccccc3)c3ccc(Br)cc3)CC2)cc1 ZINC000071260628 553634728 /nfs/dbraw/zinc/63/47/28/553634728.db2.gz OQHFWNLXMCOJJY-MHZLTWQESA-N 1 2 520.427 4.809 50 30 KJEALO O=[N+]([O-])c1ccc(N2CC[NH+](CC#CC[C@@](O)(c3ccccc3)c3ccc(Br)cc3)CC2)cc1 ZINC000071260629 553634780 /nfs/dbraw/zinc/63/47/80/553634780.db2.gz OQHFWNLXMCOJJY-HHHXNRCGSA-N 1 2 520.427 4.809 50 30 KJEALO COc1ccc(/C=C2\Oc3c(c(C)cc(O)c3C[NH+]3CCN(c4ccccc4F)CC3)C2=O)c(OC)c1OC ZINC000071389131 553636157 /nfs/dbraw/zinc/63/61/57/553636157.db2.gz UAFQGQRJVZCQQL-XYGWBWBKSA-N 1 2 534.584 4.804 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cc(OC)ccc2OC)cc1Cl ZINC000085945219 553692555 /nfs/dbraw/zinc/69/25/55/553692555.db2.gz CPCBDBLEPFTRFG-XMMPIXPASA-N 1 2 525.989 4.621 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cc(OC)ccc2OC)cc1Cl ZINC000085945220 553692480 /nfs/dbraw/zinc/69/24/80/553692480.db2.gz CPCBDBLEPFTRFG-DEOSSOPVSA-N 1 2 525.989 4.621 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000094979097 553697809 /nfs/dbraw/zinc/69/78/09/553697809.db2.gz OVDJRJVRVJFPMI-AREMUKBSSA-N 1 2 519.598 4.748 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000094979098 553697671 /nfs/dbraw/zinc/69/76/71/553697671.db2.gz OVDJRJVRVJFPMI-SANMLTNESA-N 1 2 519.598 4.748 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000094988281 553697822 /nfs/dbraw/zinc/69/78/22/553697822.db2.gz BSOXQBJYDQLYJH-AFMDSPMNSA-N 1 2 501.583 4.664 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000094988281 553697820 /nfs/dbraw/zinc/69/78/20/553697820.db2.gz BSOXQBJYDQLYJH-AFMDSPMNSA-N 1 2 501.583 4.664 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000094988282 553697608 /nfs/dbraw/zinc/69/76/08/553697608.db2.gz BSOXQBJYDQLYJH-SIBVEZHUSA-N 1 2 501.583 4.664 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000094988282 553697603 /nfs/dbraw/zinc/69/76/03/553697603.db2.gz BSOXQBJYDQLYJH-SIBVEZHUSA-N 1 2 501.583 4.664 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000094988283 553697785 /nfs/dbraw/zinc/69/77/85/553697785.db2.gz BSOXQBJYDQLYJH-NIYFSFCBSA-N 1 2 501.583 4.664 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000094988283 553697783 /nfs/dbraw/zinc/69/77/83/553697783.db2.gz BSOXQBJYDQLYJH-NIYFSFCBSA-N 1 2 501.583 4.664 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000094988285 553697749 /nfs/dbraw/zinc/69/77/49/553697749.db2.gz BSOXQBJYDQLYJH-BCHFMIIMSA-N 1 2 501.583 4.664 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000094988285 553697746 /nfs/dbraw/zinc/69/77/46/553697746.db2.gz BSOXQBJYDQLYJH-BCHFMIIMSA-N 1 2 501.583 4.664 50 30 KJEALO C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000095346152 553701014 /nfs/dbraw/zinc/70/10/14/553701014.db2.gz ZNHFPFSHGUGQBQ-WAIKUNEKSA-N 1 2 522.399 4.638 50 30 KJEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000095346152 553701012 /nfs/dbraw/zinc/70/10/12/553701012.db2.gz ZNHFPFSHGUGQBQ-WAIKUNEKSA-N 1 2 522.399 4.638 50 30 KJEALO C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000095346153 553701143 /nfs/dbraw/zinc/70/11/43/553701143.db2.gz ZNHFPFSHGUGQBQ-QMHKHESXSA-N 1 2 522.399 4.638 50 30 KJEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000095346153 553701142 /nfs/dbraw/zinc/70/11/42/553701142.db2.gz ZNHFPFSHGUGQBQ-QMHKHESXSA-N 1 2 522.399 4.638 50 30 KJEALO C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000095346154 553701043 /nfs/dbraw/zinc/70/10/43/553701043.db2.gz ZNHFPFSHGUGQBQ-MWTRTKDXSA-N 1 2 522.399 4.638 50 30 KJEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000095346154 553701041 /nfs/dbraw/zinc/70/10/41/553701041.db2.gz ZNHFPFSHGUGQBQ-MWTRTKDXSA-N 1 2 522.399 4.638 50 30 KJEALO C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000095346155 553701107 /nfs/dbraw/zinc/70/11/07/553701107.db2.gz ZNHFPFSHGUGQBQ-HJPURHCSSA-N 1 2 522.399 4.638 50 30 KJEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000095346155 553701105 /nfs/dbraw/zinc/70/11/05/553701105.db2.gz ZNHFPFSHGUGQBQ-HJPURHCSSA-N 1 2 522.399 4.638 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000095483294 553702205 /nfs/dbraw/zinc/70/22/05/553702205.db2.gz JPNJWLIAOYPGKB-AREMUKBSSA-N 1 2 517.582 4.502 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000095483295 553702239 /nfs/dbraw/zinc/70/22/39/553702239.db2.gz JPNJWLIAOYPGKB-SANMLTNESA-N 1 2 517.582 4.502 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000095483801 553702138 /nfs/dbraw/zinc/70/21/38/553702138.db2.gz NDZVGBWUYUMDJJ-QFIPXVFZSA-N 1 2 510.934 4.512 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000095483802 553702128 /nfs/dbraw/zinc/70/21/28/553702128.db2.gz NDZVGBWUYUMDJJ-JOCHJYFZSA-N 1 2 510.934 4.512 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000095483817 553702485 /nfs/dbraw/zinc/70/24/85/553702485.db2.gz ATGWLXRPRDJVTB-DEOSSOPVSA-N 1 2 525.989 4.621 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000095483818 553702477 /nfs/dbraw/zinc/70/24/77/553702477.db2.gz ATGWLXRPRDJVTB-XMMPIXPASA-N 1 2 525.989 4.621 50 30 KJEALO COc1ccc(N2C(=O)C[C@H](SC(Nc3ccccc3)=[NH+]CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000095528649 553702468 /nfs/dbraw/zinc/70/24/68/553702468.db2.gz DLUDFMQLEZCPNA-VWLOTQADSA-N 1 2 519.623 4.598 50 30 KJEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000095891998 553714730 /nfs/dbraw/zinc/71/47/30/553714730.db2.gz AYUCVPRHKAWELN-AREMUKBSSA-N 1 2 501.583 4.904 50 30 KJEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000095891998 553714728 /nfs/dbraw/zinc/71/47/28/553714728.db2.gz AYUCVPRHKAWELN-AREMUKBSSA-N 1 2 501.583 4.904 50 30 KJEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000095891999 553714765 /nfs/dbraw/zinc/71/47/65/553714765.db2.gz AYUCVPRHKAWELN-SANMLTNESA-N 1 2 501.583 4.904 50 30 KJEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000095891999 553714764 /nfs/dbraw/zinc/71/47/64/553714764.db2.gz AYUCVPRHKAWELN-SANMLTNESA-N 1 2 501.583 4.904 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000096295625 553748298 /nfs/dbraw/zinc/74/82/98/553748298.db2.gz WHKAPUDCSHNZDZ-AREMUKBSSA-N 1 2 519.598 4.748 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000096295625 553748296 /nfs/dbraw/zinc/74/82/96/553748296.db2.gz WHKAPUDCSHNZDZ-AREMUKBSSA-N 1 2 519.598 4.748 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000096295626 553748377 /nfs/dbraw/zinc/74/83/77/553748377.db2.gz WHKAPUDCSHNZDZ-SANMLTNESA-N 1 2 519.598 4.748 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000096295626 553748374 /nfs/dbraw/zinc/74/83/74/553748374.db2.gz WHKAPUDCSHNZDZ-SANMLTNESA-N 1 2 519.598 4.748 50 30 KJEALO O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000096295710 553748313 /nfs/dbraw/zinc/74/83/13/553748313.db2.gz KOPZZVGXXVZKGN-JOCHJYFZSA-N 1 2 514.365 4.630 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000096295710 553748309 /nfs/dbraw/zinc/74/83/09/553748309.db2.gz KOPZZVGXXVZKGN-JOCHJYFZSA-N 1 2 514.365 4.630 50 30 KJEALO O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000096295711 553748475 /nfs/dbraw/zinc/74/84/75/553748475.db2.gz KOPZZVGXXVZKGN-QFIPXVFZSA-N 1 2 514.365 4.630 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000096295711 553748472 /nfs/dbraw/zinc/74/84/72/553748472.db2.gz KOPZZVGXXVZKGN-QFIPXVFZSA-N 1 2 514.365 4.630 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000096298274 553748572 /nfs/dbraw/zinc/74/85/72/553748572.db2.gz COJXGKQUKQSPAT-JOCHJYFZSA-N 1 2 510.934 4.512 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000096298275 553748567 /nfs/dbraw/zinc/74/85/67/553748567.db2.gz COJXGKQUKQSPAT-QFIPXVFZSA-N 1 2 510.934 4.512 50 30 KJEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccncc2)cc1 ZINC000096787041 553757218 /nfs/dbraw/zinc/75/72/18/553757218.db2.gz ZFEFHUISLNHYQC-HHHXNRCGSA-N 1 2 508.578 4.834 50 30 KJEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccncc2)cc1 ZINC000096787042 553757363 /nfs/dbraw/zinc/75/73/63/553757363.db2.gz ZFEFHUISLNHYQC-MHZLTWQESA-N 1 2 508.578 4.834 50 30 KJEALO CCCCCCCN1C(=O)/C(=C/c2c(NCCCn3cc[nH+]c3)nc3c(C)cccn3c2=O)SC1=S ZINC000097946333 553778476 /nfs/dbraw/zinc/77/84/76/553778476.db2.gz JEJDHDOCQSIHMV-FXBPSFAMSA-N 1 2 524.716 4.873 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3cccs3)cc2)c1 ZINC000097952225 553814130 /nfs/dbraw/zinc/81/41/30/553814130.db2.gz WPZYOFIEBTXKRG-HHHXNRCGSA-N 1 2 532.662 4.936 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3cccs3)cc2)c1 ZINC000097952226 553814098 /nfs/dbraw/zinc/81/40/98/553814098.db2.gz WPZYOFIEBTXKRG-MHZLTWQESA-N 1 2 532.662 4.936 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccc(O)cc3)cc2)c1 ZINC000097952369 553815359 /nfs/dbraw/zinc/81/53/59/553815359.db2.gz XNDPIOOYKWGSPM-GDLZYMKVSA-N 1 2 542.632 4.580 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccc(O)cc3)cc2)c1 ZINC000097952370 553815394 /nfs/dbraw/zinc/81/53/94/553815394.db2.gz XNDPIOOYKWGSPM-LJAQVGFWSA-N 1 2 542.632 4.580 50 30 KJEALO CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000097952420 553815666 /nfs/dbraw/zinc/81/56/66/553815666.db2.gz PWYXHCCZYPWNHT-RUZDIDTESA-N 1 2 501.583 4.620 50 30 KJEALO CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000097952421 553815697 /nfs/dbraw/zinc/81/56/97/553815697.db2.gz PWYXHCCZYPWNHT-VWLOTQADSA-N 1 2 501.583 4.620 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000097952472 553816044 /nfs/dbraw/zinc/81/60/44/553816044.db2.gz NYGGKQYVFQTHCH-GDLZYMKVSA-N 1 2 542.632 4.580 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000097952473 553816011 /nfs/dbraw/zinc/81/60/11/553816011.db2.gz NYGGKQYVFQTHCH-LJAQVGFWSA-N 1 2 542.632 4.580 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000097952935 553817804 /nfs/dbraw/zinc/81/78/04/553817804.db2.gz NHABYGMQIPQVDP-HHHXNRCGSA-N 1 2 547.608 4.510 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000097952936 553817845 /nfs/dbraw/zinc/81/78/45/553817845.db2.gz NHABYGMQIPQVDP-MHZLTWQESA-N 1 2 547.608 4.510 50 30 KJEALO CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000097952938 553817689 /nfs/dbraw/zinc/81/76/89/553817689.db2.gz BTKASXWXXZBCMY-KPURRNSFSA-N 1 2 548.680 4.736 50 30 KJEALO CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000097952939 553818247 /nfs/dbraw/zinc/81/82/47/553818247.db2.gz BTKASXWXXZBCMY-PZGXJGMVSA-N 1 2 548.680 4.736 50 30 KJEALO CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000097952940 553818254 /nfs/dbraw/zinc/81/82/54/553818254.db2.gz BTKASXWXXZBCMY-MNNSJKJDSA-N 1 2 548.680 4.736 50 30 KJEALO CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000097952941 553818170 /nfs/dbraw/zinc/81/81/70/553818170.db2.gz BTKASXWXXZBCMY-ZTOMLWHTSA-N 1 2 548.680 4.736 50 30 KJEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000097953028 553818938 /nfs/dbraw/zinc/81/89/38/553818938.db2.gz SYQGSVFDZLJATP-GDLZYMKVSA-N 1 2 542.632 4.580 50 30 KJEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(O)cc2)cc1 ZINC000097953029 553818862 /nfs/dbraw/zinc/81/88/62/553818862.db2.gz SYQGSVFDZLJATP-LJAQVGFWSA-N 1 2 542.632 4.580 50 30 KJEALO CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000097953039 553818932 /nfs/dbraw/zinc/81/89/32/553818932.db2.gz YUPIKFSYWMYQIX-PZGXJGMVSA-N 1 2 548.680 4.880 50 30 KJEALO CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000097953040 553818843 /nfs/dbraw/zinc/81/88/43/553818843.db2.gz YUPIKFSYWMYQIX-ZTOMLWHTSA-N 1 2 548.680 4.880 50 30 KJEALO CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000097953041 553818908 /nfs/dbraw/zinc/81/89/08/553818908.db2.gz YUPIKFSYWMYQIX-KPURRNSFSA-N 1 2 548.680 4.880 50 30 KJEALO CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000097953042 553818880 /nfs/dbraw/zinc/81/88/80/553818880.db2.gz YUPIKFSYWMYQIX-MNNSJKJDSA-N 1 2 548.680 4.880 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000097953116 553819520 /nfs/dbraw/zinc/81/95/20/553819520.db2.gz ZPGYDFFRPIACMJ-HHHXNRCGSA-N 1 2 547.608 4.510 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000097953117 553819469 /nfs/dbraw/zinc/81/94/69/553819469.db2.gz ZPGYDFFRPIACMJ-MHZLTWQESA-N 1 2 547.608 4.510 50 30 KJEALO CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000097953167 553819698 /nfs/dbraw/zinc/81/96/98/553819698.db2.gz DSBBKPLQCIBUPZ-HHHXNRCGSA-N 1 2 531.609 4.892 50 30 KJEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(O)c2)cc1 ZINC000097953991 553820650 /nfs/dbraw/zinc/82/06/50/553820650.db2.gz NYTOBTCVDVVDRR-GDLZYMKVSA-N 1 2 542.632 4.580 50 30 KJEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(O)c2)cc1 ZINC000097953992 553820668 /nfs/dbraw/zinc/82/06/68/553820668.db2.gz NYTOBTCVDVVDRR-LJAQVGFWSA-N 1 2 542.632 4.580 50 30 KJEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000097955807 553834197 /nfs/dbraw/zinc/83/41/97/553834197.db2.gz WBDPAFJNIWJBSJ-WTYVLRPYSA-N 1 2 543.620 4.839 50 30 KJEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000097955808 553834298 /nfs/dbraw/zinc/83/42/98/553834298.db2.gz WBDPAFJNIWJBSJ-MMTVBGGISA-N 1 2 543.620 4.839 50 30 KJEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000097955809 553834167 /nfs/dbraw/zinc/83/41/67/553834167.db2.gz WBDPAFJNIWJBSJ-PIIWDFAUSA-N 1 2 543.620 4.839 50 30 KJEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000097955810 553834243 /nfs/dbraw/zinc/83/42/43/553834243.db2.gz WBDPAFJNIWJBSJ-NGOKVRLYSA-N 1 2 543.620 4.839 50 30 KJEALO COc1cc(N2CCCC2)c(OC)cc1/C=C1\S/C(=N\c2ccccc2)N(CCC[NH+]2CCOCC2)C1=O ZINC000097960193 553868900 /nfs/dbraw/zinc/86/89/00/553868900.db2.gz XXSRUQSJYMATOX-FFKKSUQSSA-N 1 2 536.698 4.630 50 30 KJEALO CCOC(=O)c1c(/N=C/c2cc(I)cc(I)c2O)sc2c1CC[N@@H+](C)C2 ZINC000097961100 553875094 /nfs/dbraw/zinc/87/50/94/553875094.db2.gz OFPCLZGXOPKNBN-ODCIPOBUSA-N 1 2 596.228 4.578 50 30 KJEALO CCOC(=O)c1c(/N=C/c2cc(I)cc(I)c2O)sc2c1CC[N@H+](C)C2 ZINC000097961100 553875092 /nfs/dbraw/zinc/87/50/92/553875092.db2.gz OFPCLZGXOPKNBN-ODCIPOBUSA-N 1 2 596.228 4.578 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000097966760 553909885 /nfs/dbraw/zinc/90/98/85/553909885.db2.gz OWMZGNAMDYIOOR-GDLZYMKVSA-N 1 2 566.695 4.738 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000097966761 553910035 /nfs/dbraw/zinc/91/00/35/553910035.db2.gz OWMZGNAMDYIOOR-LJAQVGFWSA-N 1 2 566.695 4.738 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000097966806 553910450 /nfs/dbraw/zinc/91/04/50/553910450.db2.gz XWKGXUGIXHGODR-HKBQPEDESA-N 1 2 616.711 4.900 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000097966807 553910385 /nfs/dbraw/zinc/91/03/85/553910385.db2.gz XWKGXUGIXHGODR-WJOKGBTCSA-N 1 2 616.711 4.900 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000097966826 553910801 /nfs/dbraw/zinc/91/08/01/553910801.db2.gz JAOALEOMKINJDA-PMERELPUSA-N 1 2 572.658 4.589 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000097966827 553910662 /nfs/dbraw/zinc/91/06/62/553910662.db2.gz JAOALEOMKINJDA-SSEXGKCCSA-N 1 2 572.658 4.589 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(O)cc1 ZINC000097966857 553911056 /nfs/dbraw/zinc/91/10/56/553911056.db2.gz LOAZOXVSVXGYJE-LJAQVGFWSA-N 1 2 542.632 4.580 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(O)cc1 ZINC000097966858 553911215 /nfs/dbraw/zinc/91/12/15/553911215.db2.gz LOAZOXVSVXGYJE-GDLZYMKVSA-N 1 2 542.632 4.580 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000097966888 553911448 /nfs/dbraw/zinc/91/14/48/553911448.db2.gz ULIWBUBEJQVCLU-LJAQVGFWSA-N 1 2 566.695 4.882 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000097966889 553911608 /nfs/dbraw/zinc/91/16/08/553911608.db2.gz ULIWBUBEJQVCLU-GDLZYMKVSA-N 1 2 566.695 4.882 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000097966966 553912226 /nfs/dbraw/zinc/91/22/26/553912226.db2.gz BFBMYSOZUZPVSR-NDEPHWFRSA-N 1 2 582.694 4.500 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000097966967 553912391 /nfs/dbraw/zinc/91/23/91/553912391.db2.gz BFBMYSOZUZPVSR-MUUNZHRXSA-N 1 2 582.694 4.500 50 30 KJEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccc(Br)cc3)oc21 ZINC000097966977 553912707 /nfs/dbraw/zinc/91/27/07/553912707.db2.gz ZHIOHDBKXMCLGQ-QHCPKHFHSA-N 1 2 555.425 4.505 50 30 KJEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccc(Br)cc3)oc21 ZINC000097966978 553912758 /nfs/dbraw/zinc/91/27/58/553912758.db2.gz ZHIOHDBKXMCLGQ-HSZRJFAPSA-N 1 2 555.425 4.505 50 30 KJEALO CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000097967051 553913383 /nfs/dbraw/zinc/91/33/83/553913383.db2.gz NSOKKFLUEXHXBM-HKBQPEDESA-N 1 2 586.685 4.979 50 30 KJEALO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000097967059 553913575 /nfs/dbraw/zinc/91/35/75/553913575.db2.gz DZIGPYMWVWAJFD-WJOKGBTCSA-N 1 2 586.685 4.979 50 30 KJEALO CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000097967060 553913460 /nfs/dbraw/zinc/91/34/60/553913460.db2.gz DZIGPYMWVWAJFD-HKBQPEDESA-N 1 2 586.685 4.979 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097967074 553913586 /nfs/dbraw/zinc/91/35/86/553913586.db2.gz RLUKCMGXYZCWRI-SMSORMJASA-N 1 2 578.706 4.888 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097967075 553913553 /nfs/dbraw/zinc/91/35/53/553913553.db2.gz RLUKCMGXYZCWRI-CHJDUVSTSA-N 1 2 578.706 4.888 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097967076 553913541 /nfs/dbraw/zinc/91/35/41/553913541.db2.gz RLUKCMGXYZCWRI-YKGWIAGDSA-N 1 2 578.706 4.888 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097967077 553913442 /nfs/dbraw/zinc/91/34/42/553913442.db2.gz RLUKCMGXYZCWRI-RCRUUEGKSA-N 1 2 578.706 4.888 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccs2)ccc1OCc1ccccc1 ZINC000097967177 553914776 /nfs/dbraw/zinc/91/47/76/553914776.db2.gz LRPOVGDWHIMCNX-MHZLTWQESA-N 1 2 532.662 4.936 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccs2)ccc1OCc1ccccc1 ZINC000097967178 553914746 /nfs/dbraw/zinc/91/47/46/553914746.db2.gz LRPOVGDWHIMCNX-HHHXNRCGSA-N 1 2 532.662 4.936 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000097967189 553914820 /nfs/dbraw/zinc/91/48/20/553914820.db2.gz JDOWTDGMRDWISN-LJAQVGFWSA-N 1 2 542.632 4.580 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000097967190 553914826 /nfs/dbraw/zinc/91/48/26/553914826.db2.gz JDOWTDGMRDWISN-GDLZYMKVSA-N 1 2 542.632 4.580 50 30 KJEALO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000097967397 553918054 /nfs/dbraw/zinc/91/80/54/553918054.db2.gz DHJNMJARQDUPSO-PMERELPUSA-N 1 2 556.659 4.883 50 30 KJEALO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000097967398 553918135 /nfs/dbraw/zinc/91/81/35/553918135.db2.gz DHJNMJARQDUPSO-SSEXGKCCSA-N 1 2 556.659 4.883 50 30 KJEALO CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097967409 553918058 /nfs/dbraw/zinc/91/80/58/553918058.db2.gz XPNNJSCLPNLBQV-SSEXGKCCSA-N 1 2 594.705 4.726 50 30 KJEALO CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097967410 553918099 /nfs/dbraw/zinc/91/80/99/553918099.db2.gz XPNNJSCLPNLBQV-PMERELPUSA-N 1 2 594.705 4.726 50 30 KJEALO CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000097967574 553920182 /nfs/dbraw/zinc/92/01/82/553920182.db2.gz FSTISSKBGDQICF-MUUNZHRXSA-N 1 2 561.635 4.901 50 30 KJEALO CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000097967575 553920268 /nfs/dbraw/zinc/92/02/68/553920268.db2.gz FSTISSKBGDQICF-NDEPHWFRSA-N 1 2 561.635 4.901 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000097967800 553923578 /nfs/dbraw/zinc/92/35/78/553923578.db2.gz YMPFCKVJFMDXKI-MUUNZHRXSA-N 1 2 561.635 4.901 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000097967801 553923599 /nfs/dbraw/zinc/92/35/99/553923599.db2.gz YMPFCKVJFMDXKI-NDEPHWFRSA-N 1 2 561.635 4.901 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097967855 553924113 /nfs/dbraw/zinc/92/41/13/553924113.db2.gz KLVDGWISYGXBNN-GDLZYMKVSA-N 1 2 551.599 4.902 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097967856 553923911 /nfs/dbraw/zinc/92/39/11/553923911.db2.gz KLVDGWISYGXBNN-LJAQVGFWSA-N 1 2 551.599 4.902 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000097969019 553935838 /nfs/dbraw/zinc/93/58/38/553935838.db2.gz JVXNINNXERRGRY-DEOSSOPVSA-N 1 2 556.015 4.630 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000097969020 553935918 /nfs/dbraw/zinc/93/59/18/553935918.db2.gz JVXNINNXERRGRY-XMMPIXPASA-N 1 2 556.015 4.630 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000097969036 553935883 /nfs/dbraw/zinc/93/58/83/553935883.db2.gz FEKNOIRNALJZDO-LJAQVGFWSA-N 1 2 571.630 4.783 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000097969037 553935898 /nfs/dbraw/zinc/93/58/98/553935898.db2.gz FEKNOIRNALJZDO-GDLZYMKVSA-N 1 2 571.630 4.783 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000097969114 553936541 /nfs/dbraw/zinc/93/65/41/553936541.db2.gz NIZDJZQIGJOQCA-PMERELPUSA-N 1 2 572.658 4.589 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000097969115 553936551 /nfs/dbraw/zinc/93/65/51/553936551.db2.gz NIZDJZQIGJOQCA-SSEXGKCCSA-N 1 2 572.658 4.589 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1OCc1ccccc1 ZINC000097969312 553939622 /nfs/dbraw/zinc/93/96/22/553939622.db2.gz HHGWHZMKKFNYSY-SSEXGKCCSA-N 1 2 581.625 4.911 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1OCc1ccccc1 ZINC000097969313 553939589 /nfs/dbraw/zinc/93/95/89/553939589.db2.gz HHGWHZMKKFNYSY-PMERELPUSA-N 1 2 581.625 4.911 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000097969325 553939726 /nfs/dbraw/zinc/93/97/26/553939726.db2.gz JFQYOFQXNAYQGF-GDLZYMKVSA-N 1 2 566.695 4.738 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000097969326 553939615 /nfs/dbraw/zinc/93/96/15/553939615.db2.gz JFQYOFQXNAYQGF-LJAQVGFWSA-N 1 2 566.695 4.738 50 30 KJEALO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCc1ccccc1 ZINC000097969347 553940176 /nfs/dbraw/zinc/94/01/76/553940176.db2.gz WZJYXBDMGMHXEH-JGCGQSQUSA-N 1 2 614.695 4.736 50 30 KJEALO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCc1ccccc1 ZINC000097969348 553940097 /nfs/dbraw/zinc/94/00/97/553940097.db2.gz WZJYXBDMGMHXEH-YTTGMZPUSA-N 1 2 614.695 4.736 50 30 KJEALO O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000097969376 553940395 /nfs/dbraw/zinc/94/03/95/553940395.db2.gz LPYICWQKOWAYHP-GDLZYMKVSA-N 1 2 551.599 4.902 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000097969376 553940392 /nfs/dbraw/zinc/94/03/92/553940392.db2.gz LPYICWQKOWAYHP-GDLZYMKVSA-N 1 2 551.599 4.902 50 30 KJEALO O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000097969377 553940472 /nfs/dbraw/zinc/94/04/72/553940472.db2.gz LPYICWQKOWAYHP-LJAQVGFWSA-N 1 2 551.599 4.902 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000097969377 553940469 /nfs/dbraw/zinc/94/04/69/553940469.db2.gz LPYICWQKOWAYHP-LJAQVGFWSA-N 1 2 551.599 4.902 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000097969405 553940440 /nfs/dbraw/zinc/94/04/40/553940440.db2.gz MWMLPIGRZZLLSB-PMERELPUSA-N 1 2 572.658 4.589 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000097969406 553940832 /nfs/dbraw/zinc/94/08/32/553940832.db2.gz MWMLPIGRZZLLSB-SSEXGKCCSA-N 1 2 572.658 4.589 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000097969438 553941067 /nfs/dbraw/zinc/94/10/67/553941067.db2.gz DPZDDIFSBPTXNE-NDEPHWFRSA-N 1 2 582.694 4.500 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000097969439 553941051 /nfs/dbraw/zinc/94/10/51/553941051.db2.gz DPZDDIFSBPTXNE-MUUNZHRXSA-N 1 2 582.694 4.500 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccs1 ZINC000097969449 553941139 /nfs/dbraw/zinc/94/11/39/553941139.db2.gz VAJPDLAJGYMECI-MHZLTWQESA-N 1 2 532.662 4.936 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccs1 ZINC000097969450 553941132 /nfs/dbraw/zinc/94/11/32/553941132.db2.gz VAJPDLAJGYMECI-HHHXNRCGSA-N 1 2 532.662 4.936 50 30 KJEALO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000097969467 553941036 /nfs/dbraw/zinc/94/10/36/553941036.db2.gz HNUBAYGRRRDLQW-HKBQPEDESA-N 1 2 586.685 4.892 50 30 KJEALO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000097969468 553941023 /nfs/dbraw/zinc/94/10/23/553941023.db2.gz HNUBAYGRRRDLQW-WJOKGBTCSA-N 1 2 586.685 4.892 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000097969473 553941060 /nfs/dbraw/zinc/94/10/60/553941060.db2.gz AJORARBYINAWAV-HKBQPEDESA-N 1 2 616.711 4.900 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097969546 553942340 /nfs/dbraw/zinc/94/23/40/553942340.db2.gz QKHHBCMVOLPGLI-LJAQVGFWSA-N 1 2 571.630 4.783 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097969547 553942269 /nfs/dbraw/zinc/94/22/69/553942269.db2.gz QKHHBCMVOLPGLI-GDLZYMKVSA-N 1 2 571.630 4.783 50 30 KJEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969558 553942210 /nfs/dbraw/zinc/94/22/10/553942210.db2.gz QABALPZQBZDLDP-IPBJYNAHSA-N 1 2 568.670 4.890 50 30 KJEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969559 553942275 /nfs/dbraw/zinc/94/22/75/553942275.db2.gz QABALPZQBZDLDP-FWUCURJTSA-N 1 2 568.670 4.890 50 30 KJEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969560 553942262 /nfs/dbraw/zinc/94/22/62/553942262.db2.gz QABALPZQBZDLDP-SLGOVJDISA-N 1 2 568.670 4.890 50 30 KJEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969561 553942289 /nfs/dbraw/zinc/94/22/89/553942289.db2.gz QABALPZQBZDLDP-GTYOFVGBSA-N 1 2 568.670 4.890 50 30 KJEALO C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(Br)c2)cc1 ZINC000097969680 553943807 /nfs/dbraw/zinc/94/38/07/553943807.db2.gz NXFWWTIOYAROJT-QHCPKHFHSA-N 1 2 522.399 4.879 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(Br)c2)cc1 ZINC000097969680 553943804 /nfs/dbraw/zinc/94/38/04/553943804.db2.gz NXFWWTIOYAROJT-QHCPKHFHSA-N 1 2 522.399 4.879 50 30 KJEALO C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000097969681 553943798 /nfs/dbraw/zinc/94/37/98/553943798.db2.gz NXFWWTIOYAROJT-HSZRJFAPSA-N 1 2 522.399 4.879 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000097969681 553943797 /nfs/dbraw/zinc/94/37/97/553943797.db2.gz NXFWWTIOYAROJT-HSZRJFAPSA-N 1 2 522.399 4.879 50 30 KJEALO COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000097969997 553948247 /nfs/dbraw/zinc/94/82/47/553948247.db2.gz WIVFIWYEQNUYKS-PMERELPUSA-N 1 2 556.659 4.883 50 30 KJEALO COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000097969998 553948087 /nfs/dbraw/zinc/94/80/87/553948087.db2.gz WIVFIWYEQNUYKS-SSEXGKCCSA-N 1 2 556.659 4.883 50 30 KJEALO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCCC(C)C ZINC000097970619 553956665 /nfs/dbraw/zinc/95/66/65/553956665.db2.gz FOSOBZUCMZCNIX-SSEXGKCCSA-N 1 2 594.705 4.582 50 30 KJEALO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCCC(C)C ZINC000097970620 553956845 /nfs/dbraw/zinc/95/68/45/553956845.db2.gz FOSOBZUCMZCNIX-PMERELPUSA-N 1 2 594.705 4.582 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1OCCC(C)C ZINC000097970640 553956655 /nfs/dbraw/zinc/95/66/55/553956655.db2.gz KPNOPXQFZUUSJP-MUUNZHRXSA-N 1 2 561.635 4.756 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1OCCC(C)C ZINC000097970641 553956866 /nfs/dbraw/zinc/95/68/66/553956866.db2.gz KPNOPXQFZUUSJP-NDEPHWFRSA-N 1 2 561.635 4.756 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000097970947 553959563 /nfs/dbraw/zinc/95/95/63/553959563.db2.gz YCXIOLDGODXGQU-LJAQVGFWSA-N 1 2 571.630 4.783 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000097970948 553959932 /nfs/dbraw/zinc/95/99/32/553959932.db2.gz YCXIOLDGODXGQU-GDLZYMKVSA-N 1 2 571.630 4.783 50 30 KJEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3cccc(Br)c3)oc21 ZINC000097971034 553960657 /nfs/dbraw/zinc/96/06/57/553960657.db2.gz IQLXQAXOARTDBC-QHCPKHFHSA-N 1 2 555.425 4.505 50 30 KJEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3cccc(Br)c3)oc21 ZINC000097971035 553960607 /nfs/dbraw/zinc/96/06/07/553960607.db2.gz IQLXQAXOARTDBC-HSZRJFAPSA-N 1 2 555.425 4.505 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000098046554 554140669 /nfs/dbraw/zinc/14/06/69/554140669.db2.gz WYMJVNQBNTYTKK-LJAQVGFWSA-N 1 2 556.615 4.551 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCc1ccccc1 ZINC000098046555 554140743 /nfs/dbraw/zinc/14/07/43/554140743.db2.gz BUIYQJQIPPHOLL-JIYROHSKSA-N 1 2 598.696 4.898 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCc1ccccc1 ZINC000098046556 554140606 /nfs/dbraw/zinc/14/06/06/554140606.db2.gz BUIYQJQIPPHOLL-JPQMRUPTSA-N 1 2 598.696 4.898 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCc1ccccc1 ZINC000098046557 554140646 /nfs/dbraw/zinc/14/06/46/554140646.db2.gz BUIYQJQIPPHOLL-HEIROHQZSA-N 1 2 598.696 4.898 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCc1ccccc1 ZINC000098046558 554140589 /nfs/dbraw/zinc/14/05/89/554140589.db2.gz BUIYQJQIPPHOLL-UDNBHOFDSA-N 1 2 598.696 4.898 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000098046589 554141204 /nfs/dbraw/zinc/14/12/04/554141204.db2.gz KYPBJJPPQOSXLG-JOCHJYFZSA-N 1 2 552.381 4.775 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000098047038 554146153 /nfs/dbraw/zinc/14/61/53/554146153.db2.gz CMYNNBGTJICEGG-RUZDIDTESA-N 1 2 557.485 4.847 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000098047039 554146180 /nfs/dbraw/zinc/14/61/80/554146180.db2.gz CMYNNBGTJICEGG-VWLOTQADSA-N 1 2 557.485 4.847 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OC(=O)c1ccccc1 ZINC000098047115 554146723 /nfs/dbraw/zinc/14/67/23/554146723.db2.gz YRWNQPNMTYCQQS-GDLZYMKVSA-N 1 2 570.642 4.523 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OC(=O)c1ccccc1 ZINC000098047116 554146660 /nfs/dbraw/zinc/14/66/60/554146660.db2.gz YRWNQPNMTYCQQS-LJAQVGFWSA-N 1 2 570.642 4.523 50 30 KJEALO COc1ccc(C(=O)Oc2ccc([C@@H]3C(C(=O)c4ccc(C)cc4)=C(O)C(=O)N3CCC[NH+]3CCOCC3)cc2)cc1 ZINC000098047117 554146696 /nfs/dbraw/zinc/14/66/96/554146696.db2.gz FEXZVNWECAFRRE-GDLZYMKVSA-N 1 2 570.642 4.523 50 30 KJEALO COc1ccc(C(=O)Oc2ccc([C@H]3C(C(=O)c4ccc(C)cc4)=C(O)C(=O)N3CCC[NH+]3CCOCC3)cc2)cc1 ZINC000098047118 554146985 /nfs/dbraw/zinc/14/69/85/554146985.db2.gz FEXZVNWECAFRRE-LJAQVGFWSA-N 1 2 570.642 4.523 50 30 KJEALO Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098047134 554147035 /nfs/dbraw/zinc/14/70/35/554147035.db2.gz CXFWCZRTZSMSLG-SSEXGKCCSA-N 1 2 556.659 4.753 50 30 KJEALO Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098047135 554147041 /nfs/dbraw/zinc/14/70/41/554147041.db2.gz CXFWCZRTZSMSLG-PMERELPUSA-N 1 2 556.659 4.753 50 30 KJEALO N#Cc1ccc2c(c1)ncc(S(=O)(=O)c1ccc(F)c(Cl)c1)c2N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000100035492 554188472 /nfs/dbraw/zinc/18/84/72/554188472.db2.gz BYUYXTQCWQLMOT-HXUWFJFHSA-N 1 2 543.064 4.813 50 30 KJEALO N#Cc1ccc2c(c1)ncc(S(=O)(=O)c1ccc(F)c(Cl)c1)c2N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000100035494 554188499 /nfs/dbraw/zinc/18/84/99/554188499.db2.gz BYUYXTQCWQLMOT-FQEVSTJZSA-N 1 2 543.064 4.813 50 30 KJEALO CCOc1cccc(N2C(=O)C[C@H](SC(Nc3ccccc3)=[NH+]CCc3ccc(OC)c(OC)c3)C2=O)c1 ZINC000100062855 554199261 /nfs/dbraw/zinc/19/92/61/554199261.db2.gz RQHBLTIHDWFVIU-SANMLTNESA-N 1 2 533.650 4.988 50 30 KJEALO CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000100068620 554200392 /nfs/dbraw/zinc/20/03/92/554200392.db2.gz NWPZHLHHBPCCLH-CVKSISIWSA-N 1 2 546.650 4.852 50 30 KJEALO Cc1ccc(/N=C2\c3ccccc3N(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1Br ZINC000100075267 554204251 /nfs/dbraw/zinc/20/42/51/554204251.db2.gz JPHQBRQCOQLFCI-KDJFERLWSA-N 1 2 547.453 4.729 50 30 KJEALO CCOc1ccc(NC(=[NH+]Cc2ccc3c(c2)OCO3)S[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000100079773 554206448 /nfs/dbraw/zinc/20/64/48/554206448.db2.gz JLJGOMNYIRFYSM-DEOSSOPVSA-N 1 2 503.580 4.657 50 30 KJEALO CCOc1ccc(CC(N)=[NH+]OC(NC(=O)c2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000100138012 554227289 /nfs/dbraw/zinc/22/72/89/554227289.db2.gz FQWWXCNQDAIWCD-UHFFFAOYSA-N 1 2 525.421 4.705 50 30 KJEALO CCOc1ccc(CC(N)=[NH+]OC(NC(=O)c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000100138014 554227240 /nfs/dbraw/zinc/22/72/40/554227240.db2.gz YCZNWDZFIHOTSX-UHFFFAOYSA-N 1 2 537.457 4.575 50 30 KJEALO Oc1c(I)cc(I)cc1/C=N/N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000100460514 554397710 /nfs/dbraw/zinc/39/77/10/554397710.db2.gz PVMYFFZPACJSGY-AFUMVMLFSA-N 1 2 597.238 4.906 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000100672136 554442010 /nfs/dbraw/zinc/44/20/10/554442010.db2.gz SRWIAPHIBGOZTC-RUZDIDTESA-N 1 2 557.485 4.847 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000100672137 554442017 /nfs/dbraw/zinc/44/20/17/554442017.db2.gz SRWIAPHIBGOZTC-VWLOTQADSA-N 1 2 557.485 4.847 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000100672373 554441951 /nfs/dbraw/zinc/44/19/51/554441951.db2.gz OMNCRNXAXDXKQM-RUZDIDTESA-N 1 2 555.469 4.623 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000100672376 554441915 /nfs/dbraw/zinc/44/19/15/554441915.db2.gz OMNCRNXAXDXKQM-VWLOTQADSA-N 1 2 555.469 4.623 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000100672510 554441986 /nfs/dbraw/zinc/44/19/86/554441986.db2.gz QCILMNBWKQWFGD-RUZDIDTESA-N 1 2 555.469 4.623 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000100672511 554441935 /nfs/dbraw/zinc/44/19/35/554441935.db2.gz QCILMNBWKQWFGD-VWLOTQADSA-N 1 2 555.469 4.623 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000100673176 554442322 /nfs/dbraw/zinc/44/23/22/554442322.db2.gz QTWNPXHAYBUMDC-MUUNZHRXSA-N 1 2 546.595 4.927 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000100673179 554442254 /nfs/dbraw/zinc/44/22/54/554442254.db2.gz QTWNPXHAYBUMDC-NDEPHWFRSA-N 1 2 546.595 4.927 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000100678513 554445335 /nfs/dbraw/zinc/44/53/35/554445335.db2.gz NYDJVRLERSSDMM-PMERELPUSA-N 1 2 590.648 4.723 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000100678517 554445237 /nfs/dbraw/zinc/44/52/37/554445237.db2.gz NYDJVRLERSSDMM-SSEXGKCCSA-N 1 2 590.648 4.723 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000100678569 554445329 /nfs/dbraw/zinc/44/53/29/554445329.db2.gz ALFPTCOLIYHBPU-MUUNZHRXSA-N 1 2 575.593 4.614 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000100678575 554445389 /nfs/dbraw/zinc/44/53/89/554445389.db2.gz ALFPTCOLIYHBPU-NDEPHWFRSA-N 1 2 575.593 4.614 50 30 KJEALO COc1ccc(/C(C)=N\OCc2nc3c4c5c(sc4ncn3n2)C[N@@H+](Cc2ccccc2)CC5)cc1OC ZINC000100904648 554515300 /nfs/dbraw/zinc/51/53/00/554515300.db2.gz ZVERYTQMNAJAEC-CAQPMQTCSA-N 1 2 528.638 4.855 50 30 KJEALO COc1ccc(/C(C)=N\OCc2nc3c4c5c(sc4ncn3n2)C[N@H+](Cc2ccccc2)CC5)cc1OC ZINC000100904648 554515297 /nfs/dbraw/zinc/51/52/97/554515297.db2.gz ZVERYTQMNAJAEC-CAQPMQTCSA-N 1 2 528.638 4.855 50 30 KJEALO CCOc1cccc([C@@H]2C(C(=O)c3cc(Br)ccc3O)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000100992280 554550392 /nfs/dbraw/zinc/55/03/92/554550392.db2.gz SGDKCGFYAFDMMV-HSZRJFAPSA-N 1 2 531.447 4.864 50 30 KJEALO CCOc1cccc([C@H]2C(C(=O)c3cc(Br)ccc3O)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000100992283 554550399 /nfs/dbraw/zinc/55/03/99/554550399.db2.gz SGDKCGFYAFDMMV-QHCPKHFHSA-N 1 2 531.447 4.864 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3cc(Br)ccc3O)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000100992288 554550407 /nfs/dbraw/zinc/55/04/07/554550407.db2.gz FOAREGBHYHPXOL-HSZRJFAPSA-N 1 2 531.447 4.864 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3cc(Br)ccc3O)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000100992290 554550303 /nfs/dbraw/zinc/55/03/03/554550303.db2.gz FOAREGBHYHPXOL-QHCPKHFHSA-N 1 2 531.447 4.864 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1Cl)c1ccc(Br)cc1 ZINC000101062511 554570654 /nfs/dbraw/zinc/57/06/54/554570654.db2.gz APAPPBFGILMTFK-YDJIHCHBSA-N 1 2 500.780 4.811 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1Cl)c1ccc(Br)cc1 ZINC000101062513 554570659 /nfs/dbraw/zinc/57/06/59/554570659.db2.gz APAPPBFGILMTFK-NHFXJNLRSA-N 1 2 500.780 4.811 50 30 KJEALO O=C1c2ccccc2C(=O)C(N2CC[NH+](Cc3ccccc3)CC2)=C1NS(=O)(=O)c1ccc(Br)cc1 ZINC000101081036 554578746 /nfs/dbraw/zinc/57/87/46/554578746.db2.gz HMNSQKWRPUKNBK-OLFWJLLRSA-N 1 2 566.477 4.520 50 30 KJEALO O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc(Br)c1 ZINC000101100203 554587120 /nfs/dbraw/zinc/58/71/20/554587120.db2.gz OLFRNOGBCASBJB-YDJIHCHBSA-N 1 2 500.780 4.811 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000101100203 554587119 /nfs/dbraw/zinc/58/71/19/554587119.db2.gz OLFRNOGBCASBJB-YDJIHCHBSA-N 1 2 500.780 4.811 50 30 KJEALO O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc(Br)c1 ZINC000101100204 554587128 /nfs/dbraw/zinc/58/71/28/554587128.db2.gz OLFRNOGBCASBJB-NHFXJNLRSA-N 1 2 500.780 4.811 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000101100204 554587127 /nfs/dbraw/zinc/58/71/27/554587127.db2.gz OLFRNOGBCASBJB-NHFXJNLRSA-N 1 2 500.780 4.811 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3cc(Br)ccc3O)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000101162865 554660329 /nfs/dbraw/zinc/66/03/29/554660329.db2.gz HJYNRRGPVGAXFU-XMMPIXPASA-N 1 2 561.473 4.872 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3cc(Br)ccc3O)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000101162869 554660270 /nfs/dbraw/zinc/66/02/70/554660270.db2.gz HJYNRRGPVGAXFU-DEOSSOPVSA-N 1 2 561.473 4.872 50 30 KJEALO C=CCN1C(=O)N[C@H](c2cccc(Oc3ccccc3)c2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000101236258 554690847 /nfs/dbraw/zinc/69/08/47/554690847.db2.gz PEYRICJLJCWYGC-GDLZYMKVSA-N 1 2 560.695 4.739 50 30 KJEALO C=CCN1C(=O)N[C@H](c2cccc(Oc3ccccc3)c2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000101236258 554690845 /nfs/dbraw/zinc/69/08/45/554690845.db2.gz PEYRICJLJCWYGC-GDLZYMKVSA-N 1 2 560.695 4.739 50 30 KJEALO C=CCN1C(=O)N[C@@H](c2cccc(Oc3ccccc3)c2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000101236263 554690859 /nfs/dbraw/zinc/69/08/59/554690859.db2.gz PEYRICJLJCWYGC-LJAQVGFWSA-N 1 2 560.695 4.739 50 30 KJEALO C=CCN1C(=O)N[C@@H](c2cccc(Oc3ccccc3)c2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000101236263 554690858 /nfs/dbraw/zinc/69/08/58/554690858.db2.gz PEYRICJLJCWYGC-LJAQVGFWSA-N 1 2 560.695 4.739 50 30 KJEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000101236315 554690837 /nfs/dbraw/zinc/69/08/37/554690837.db2.gz KIYFIMHABFSJEM-RUZDIDTESA-N 1 2 551.515 4.643 50 30 KJEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000101236315 554690836 /nfs/dbraw/zinc/69/08/36/554690836.db2.gz KIYFIMHABFSJEM-RUZDIDTESA-N 1 2 551.515 4.643 50 30 KJEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000101236318 554690995 /nfs/dbraw/zinc/69/09/95/554690995.db2.gz KIYFIMHABFSJEM-VWLOTQADSA-N 1 2 551.515 4.643 50 30 KJEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000101236318 554690992 /nfs/dbraw/zinc/69/09/92/554690992.db2.gz KIYFIMHABFSJEM-VWLOTQADSA-N 1 2 551.515 4.643 50 30 KJEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NC(C)(C)C)CC1 ZINC000101236348 554690968 /nfs/dbraw/zinc/69/09/68/554690968.db2.gz DHEDRWZUDDXTEK-HSZRJFAPSA-N 1 2 566.530 4.579 50 30 KJEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NC(C)(C)C)CC1 ZINC000101236348 554690964 /nfs/dbraw/zinc/69/09/64/554690964.db2.gz DHEDRWZUDDXTEK-HSZRJFAPSA-N 1 2 566.530 4.579 50 30 KJEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NC(C)(C)C)CC1 ZINC000101236350 554691045 /nfs/dbraw/zinc/69/10/45/554691045.db2.gz DHEDRWZUDDXTEK-QHCPKHFHSA-N 1 2 566.530 4.579 50 30 KJEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NC(C)(C)C)CC1 ZINC000101236350 554691043 /nfs/dbraw/zinc/69/10/43/554691043.db2.gz DHEDRWZUDDXTEK-QHCPKHFHSA-N 1 2 566.530 4.579 50 30 KJEALO C=CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000101236395 554691202 /nfs/dbraw/zinc/69/12/02/554691202.db2.gz JMTNTJPBEUXLFM-AREMUKBSSA-N 1 2 588.602 4.762 50 30 KJEALO C=CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000101236395 554691201 /nfs/dbraw/zinc/69/12/01/554691201.db2.gz JMTNTJPBEUXLFM-AREMUKBSSA-N 1 2 588.602 4.762 50 30 KJEALO C=CCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000101236397 554691278 /nfs/dbraw/zinc/69/12/78/554691278.db2.gz JMTNTJPBEUXLFM-SANMLTNESA-N 1 2 588.602 4.762 50 30 KJEALO C=CCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000101236397 554691276 /nfs/dbraw/zinc/69/12/76/554691276.db2.gz JMTNTJPBEUXLFM-SANMLTNESA-N 1 2 588.602 4.762 50 30 KJEALO C=CC[NH+]1CCN(C(=O)c2csc(COc3ccc4c(c3)[C@H](c3ccc(F)cc3)N(C(=O)CC)CC4)n2)CC1 ZINC000101250210 554694019 /nfs/dbraw/zinc/69/40/19/554694019.db2.gz WFGLYWCPWYYTNL-LJAQVGFWSA-N 1 2 548.684 4.689 50 30 KJEALO C=CC[NH+]1CCN(C(=O)c2csc(COc3ccc4c(c3)[C@@H](c3ccc(F)cc3)N(C(=O)CC)CC4)n2)CC1 ZINC000101250212 554694030 /nfs/dbraw/zinc/69/40/30/554694030.db2.gz WFGLYWCPWYYTNL-GDLZYMKVSA-N 1 2 548.684 4.689 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000101287206 554706413 /nfs/dbraw/zinc/70/64/13/554706413.db2.gz ULUGYHDCELFLEU-UUALVTFQSA-N 1 2 518.654 4.693 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000101287207 554706474 /nfs/dbraw/zinc/70/64/74/554706474.db2.gz ULUGYHDCELFLEU-ONQGDUAMSA-N 1 2 518.654 4.693 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000101287249 554706438 /nfs/dbraw/zinc/70/64/38/554706438.db2.gz IQPYSRNPCXPGAA-UUALVTFQSA-N 1 2 504.627 4.519 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000101287254 554706470 /nfs/dbraw/zinc/70/64/70/554706470.db2.gz IQPYSRNPCXPGAA-ONQGDUAMSA-N 1 2 504.627 4.519 50 30 KJEALO C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(Br)c2)cc1 ZINC000101287755 554706606 /nfs/dbraw/zinc/70/66/06/554706606.db2.gz SWTJKILWDBCAST-AYWGPLOBSA-N 1 2 522.399 4.722 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(Br)c2)cc1 ZINC000101287755 554706604 /nfs/dbraw/zinc/70/66/04/554706604.db2.gz SWTJKILWDBCAST-AYWGPLOBSA-N 1 2 522.399 4.722 50 30 KJEALO C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000101287759 554706643 /nfs/dbraw/zinc/70/66/43/554706643.db2.gz SWTJKILWDBCAST-ZHHPLPSFSA-N 1 2 522.399 4.722 50 30 KJEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000101287759 554706641 /nfs/dbraw/zinc/70/66/41/554706641.db2.gz SWTJKILWDBCAST-ZHHPLPSFSA-N 1 2 522.399 4.722 50 30 KJEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000101293869 554710311 /nfs/dbraw/zinc/71/03/11/554710311.db2.gz MLUZXAGQWAOXCX-ZHHPLPSFSA-N 1 2 522.399 4.722 50 30 KJEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000101293869 554710309 /nfs/dbraw/zinc/71/03/09/554710309.db2.gz MLUZXAGQWAOXCX-ZHHPLPSFSA-N 1 2 522.399 4.722 50 30 KJEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000101293875 554710327 /nfs/dbraw/zinc/71/03/27/554710327.db2.gz MLUZXAGQWAOXCX-AYWGPLOBSA-N 1 2 522.399 4.722 50 30 KJEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000101293875 554710325 /nfs/dbraw/zinc/71/03/25/554710325.db2.gz MLUZXAGQWAOXCX-AYWGPLOBSA-N 1 2 522.399 4.722 50 30 KJEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000101294047 554710597 /nfs/dbraw/zinc/71/05/97/554710597.db2.gz PDVQHDQDELCWIA-CZNAVJSXSA-N 1 2 501.583 4.747 50 30 KJEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000101294047 554710594 /nfs/dbraw/zinc/71/05/94/554710594.db2.gz PDVQHDQDELCWIA-CZNAVJSXSA-N 1 2 501.583 4.747 50 30 KJEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000101294051 554710682 /nfs/dbraw/zinc/71/06/82/554710682.db2.gz PDVQHDQDELCWIA-CJJGVWJISA-N 1 2 501.583 4.747 50 30 KJEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000101294051 554710681 /nfs/dbraw/zinc/71/06/81/554710681.db2.gz PDVQHDQDELCWIA-CJJGVWJISA-N 1 2 501.583 4.747 50 30 KJEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000101310335 554717594 /nfs/dbraw/zinc/71/75/94/554717594.db2.gz YWYOZUPLJNVKMS-YREDKMEYSA-N 1 2 543.620 4.682 50 30 KJEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000101310337 554717674 /nfs/dbraw/zinc/71/76/74/554717674.db2.gz YWYOZUPLJNVKMS-YFVVEFNMSA-N 1 2 543.620 4.682 50 30 KJEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000101310338 554717645 /nfs/dbraw/zinc/71/76/45/554717645.db2.gz YWYOZUPLJNVKMS-FGEDTZIGSA-N 1 2 543.620 4.682 50 30 KJEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000101310340 554717953 /nfs/dbraw/zinc/71/79/53/554717953.db2.gz YWYOZUPLJNVKMS-LODGOHBISA-N 1 2 543.620 4.682 50 30 KJEALO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000101313283 554721853 /nfs/dbraw/zinc/72/18/53/554721853.db2.gz RFRXYZYBIHHOAL-ZHHPLPSFSA-N 1 2 522.399 4.722 50 30 KJEALO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000101313283 554721851 /nfs/dbraw/zinc/72/18/51/554721851.db2.gz RFRXYZYBIHHOAL-ZHHPLPSFSA-N 1 2 522.399 4.722 50 30 KJEALO C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000101313287 554721893 /nfs/dbraw/zinc/72/18/93/554721893.db2.gz RFRXYZYBIHHOAL-AYWGPLOBSA-N 1 2 522.399 4.722 50 30 KJEALO C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000101313287 554721891 /nfs/dbraw/zinc/72/18/91/554721891.db2.gz RFRXYZYBIHHOAL-AYWGPLOBSA-N 1 2 522.399 4.722 50 30 KJEALO C=CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000101323340 554728694 /nfs/dbraw/zinc/72/86/94/554728694.db2.gz QFJNZYVRIFQEGH-CBVMVLCFSA-N 1 2 540.019 4.919 50 30 KJEALO C=CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000101323340 554728692 /nfs/dbraw/zinc/72/86/92/554728692.db2.gz QFJNZYVRIFQEGH-CBVMVLCFSA-N 1 2 540.019 4.919 50 30 KJEALO C=CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000101328857 554729921 /nfs/dbraw/zinc/72/99/21/554729921.db2.gz YJCQJBAJEUOBOE-KDLQGFRMSA-N 1 2 540.019 4.919 50 30 KJEALO C=CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000101328857 554729920 /nfs/dbraw/zinc/72/99/20/554729920.db2.gz YJCQJBAJEUOBOE-KDLQGFRMSA-N 1 2 540.019 4.919 50 30 KJEALO N#CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccncc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]21 ZINC000101370437 554744334 /nfs/dbraw/zinc/74/43/34/554744334.db2.gz ZAZCTYJSEIKFAA-GGKJBDKJSA-N 1 2 552.590 4.966 50 30 KJEALO N#CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccncc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]21 ZINC000101370437 554744333 /nfs/dbraw/zinc/74/43/33/554744333.db2.gz ZAZCTYJSEIKFAA-GGKJBDKJSA-N 1 2 552.590 4.966 50 30 KJEALO N#CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]21 ZINC000101371531 554744362 /nfs/dbraw/zinc/74/43/62/554744362.db2.gz XUPCNGKJFFMIDV-GGKJBDKJSA-N 1 2 552.590 4.966 50 30 KJEALO N#CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]21 ZINC000101371531 554744360 /nfs/dbraw/zinc/74/43/60/554744360.db2.gz XUPCNGKJFFMIDV-GGKJBDKJSA-N 1 2 552.590 4.966 50 30 KJEALO COc1cccc(NC(=S)N/N=C2/c3ccccc3N(C[NH+]3CCC(Cc4ccccc4)CC3)C2=O)c1 ZINC000101683454 554828770 /nfs/dbraw/zinc/82/87/70/554828770.db2.gz FGEJDXFEEGNZAC-QVTSOHHYSA-N 1 2 513.667 4.645 50 30 KJEALO CC(C)c1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000101950388 554853070 /nfs/dbraw/zinc/85/30/70/554853070.db2.gz IIYHOSRQRGDMCU-UHFFFAOYSA-O 1 2 564.405 4.966 50 30 KJEALO CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102076624 554874870 /nfs/dbraw/zinc/87/48/70/554874870.db2.gz YZYIOOQJUIFDQU-XIFSCCLJSA-N 1 2 548.680 4.579 50 30 KJEALO CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102076630 554874798 /nfs/dbraw/zinc/87/47/98/554874798.db2.gz YZYIOOQJUIFDQU-VVOYAKFZSA-N 1 2 548.680 4.579 50 30 KJEALO CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102076634 554874759 /nfs/dbraw/zinc/87/47/59/554874759.db2.gz YZYIOOQJUIFDQU-HXUDZCJASA-N 1 2 548.680 4.579 50 30 KJEALO CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102076640 554874746 /nfs/dbraw/zinc/87/47/46/554874746.db2.gz YZYIOOQJUIFDQU-OXKHXNLSSA-N 1 2 548.680 4.579 50 30 KJEALO CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102076858 554875167 /nfs/dbraw/zinc/87/51/67/554875167.db2.gz VBWJWLMVAJHLHD-UUALVTFQSA-N 1 2 531.609 4.591 50 30 KJEALO CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102076861 554875112 /nfs/dbraw/zinc/87/51/12/554875112.db2.gz VBWJWLMVAJHLHD-ONQGDUAMSA-N 1 2 531.609 4.591 50 30 KJEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000102168863 554890561 /nfs/dbraw/zinc/89/05/61/554890561.db2.gz YFURDMXGYMFEJT-CZNAVJSXSA-N 1 2 571.512 4.936 50 30 KJEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000102168867 554890584 /nfs/dbraw/zinc/89/05/84/554890584.db2.gz YFURDMXGYMFEJT-CJJGVWJISA-N 1 2 571.512 4.936 50 30 KJEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000102168981 554890984 /nfs/dbraw/zinc/89/09/84/554890984.db2.gz HSNKJNKCEJLHQE-CZNAVJSXSA-N 1 2 527.061 4.827 50 30 KJEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000102168986 554890901 /nfs/dbraw/zinc/89/09/01/554890901.db2.gz HSNKJNKCEJLHQE-CJJGVWJISA-N 1 2 527.061 4.827 50 30 KJEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000102169126 554890917 /nfs/dbraw/zinc/89/09/17/554890917.db2.gz BMRSNHBXSHEJHH-CZNAVJSXSA-N 1 2 571.512 4.936 50 30 KJEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000102169131 554890925 /nfs/dbraw/zinc/89/09/25/554890925.db2.gz BMRSNHBXSHEJHH-CJJGVWJISA-N 1 2 571.512 4.936 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000102175195 554891946 /nfs/dbraw/zinc/89/19/46/554891946.db2.gz XYCJPOSPXOOOOA-CZNAVJSXSA-N 1 2 571.512 4.936 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000102175203 554891937 /nfs/dbraw/zinc/89/19/37/554891937.db2.gz XYCJPOSPXOOOOA-CJJGVWJISA-N 1 2 571.512 4.936 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000102175422 554891852 /nfs/dbraw/zinc/89/18/52/554891852.db2.gz QZLOSBAARXWCHR-CZNAVJSXSA-N 1 2 571.512 4.936 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000102175426 554891910 /nfs/dbraw/zinc/89/19/10/554891910.db2.gz QZLOSBAARXWCHR-CJJGVWJISA-N 1 2 571.512 4.936 50 30 KJEALO CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102369370 554915954 /nfs/dbraw/zinc/91/59/54/554915954.db2.gz ZLQRTIJPVQDPNA-CJJGVWJISA-N 1 2 503.599 4.970 50 30 KJEALO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102369370 554915953 /nfs/dbraw/zinc/91/59/53/554915953.db2.gz ZLQRTIJPVQDPNA-CJJGVWJISA-N 1 2 503.599 4.970 50 30 KJEALO CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102369373 554915942 /nfs/dbraw/zinc/91/59/42/554915942.db2.gz ZLQRTIJPVQDPNA-CZNAVJSXSA-N 1 2 503.599 4.970 50 30 KJEALO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102369373 554915941 /nfs/dbraw/zinc/91/59/41/554915941.db2.gz ZLQRTIJPVQDPNA-CZNAVJSXSA-N 1 2 503.599 4.970 50 30 KJEALO CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102374094 554917853 /nfs/dbraw/zinc/91/78/53/554917853.db2.gz UCBBIVRDEZTLIE-ZHHPLPSFSA-N 1 2 524.415 4.945 50 30 KJEALO CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102374094 554917851 /nfs/dbraw/zinc/91/78/51/554917851.db2.gz UCBBIVRDEZTLIE-ZHHPLPSFSA-N 1 2 524.415 4.945 50 30 KJEALO CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102374097 554917862 /nfs/dbraw/zinc/91/78/62/554917862.db2.gz UCBBIVRDEZTLIE-AYWGPLOBSA-N 1 2 524.415 4.945 50 30 KJEALO CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102374097 554917860 /nfs/dbraw/zinc/91/78/60/554917860.db2.gz UCBBIVRDEZTLIE-AYWGPLOBSA-N 1 2 524.415 4.945 50 30 KJEALO O=C1c2ccccc2C(=O)C(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=C1NS(=O)(=O)c1ccccc1 ZINC000102413569 554923995 /nfs/dbraw/zinc/92/39/95/554923995.db2.gz ODCHRKDEOVTMGW-UHFFFAOYSA-N 1 2 563.679 4.663 50 30 KJEALO N#Cc1ccc2ncc(S(=O)(=O)c3ccc(F)c(Cl)c3)c(N3CCCC[C@@H]3CC[NH+]3CCOCC3)c2c1 ZINC000102434880 554927625 /nfs/dbraw/zinc/92/76/25/554927625.db2.gz ZKJVCHHCNMKDPU-HXUWFJFHSA-N 1 2 543.064 4.813 50 30 KJEALO N#Cc1ccc2ncc(S(=O)(=O)c3ccc(F)c(Cl)c3)c(N3CCCC[C@H]3CC[NH+]3CCOCC3)c2c1 ZINC000102434885 554927589 /nfs/dbraw/zinc/92/75/89/554927589.db2.gz ZKJVCHHCNMKDPU-FQEVSTJZSA-N 1 2 543.064 4.813 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1O ZINC000102484537 554938003 /nfs/dbraw/zinc/93/80/03/554938003.db2.gz SCGAYXIVCDDQSU-MIOXIQPJSA-N 1 2 553.615 4.997 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1O ZINC000102484546 554937995 /nfs/dbraw/zinc/93/79/95/554937995.db2.gz SCGAYXIVCDDQSU-WGGXKBPPSA-N 1 2 553.615 4.997 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102487516 554938516 /nfs/dbraw/zinc/93/85/16/554938516.db2.gz MSDXHSLNROPZIJ-WGGXKBPPSA-N 1 2 566.695 4.581 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102487526 554938452 /nfs/dbraw/zinc/93/84/52/554938452.db2.gz MSDXHSLNROPZIJ-MIOXIQPJSA-N 1 2 566.695 4.581 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(CC)cc2)cc1C ZINC000102491672 554939449 /nfs/dbraw/zinc/93/94/49/554939449.db2.gz WWAJLZHYWZWQOW-TXTDGAROSA-N 1 2 520.670 4.880 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(CC)cc2)cc1C ZINC000102491677 554939331 /nfs/dbraw/zinc/93/93/31/554939331.db2.gz WWAJLZHYWZWQOW-DFXXOVSGSA-N 1 2 520.670 4.880 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000102493460 554939610 /nfs/dbraw/zinc/93/96/10/554939610.db2.gz PPBOBRDKZMLARP-ZORLYMSLSA-N 1 2 616.711 4.744 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000102493470 554939661 /nfs/dbraw/zinc/93/96/61/554939661.db2.gz PPBOBRDKZMLARP-AHPONGEQSA-N 1 2 616.711 4.744 50 30 KJEALO CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102497164 554941024 /nfs/dbraw/zinc/94/10/24/554941024.db2.gz WVISHBGOPPUFPH-OXKHXNLSSA-N 1 2 548.680 4.723 50 30 KJEALO CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102497172 554941091 /nfs/dbraw/zinc/94/10/91/554941091.db2.gz WVISHBGOPPUFPH-VVOYAKFZSA-N 1 2 548.680 4.723 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102502770 554943701 /nfs/dbraw/zinc/94/37/01/554943701.db2.gz WCUBYZJQDKAULV-MIOXIQPJSA-N 1 2 566.695 4.725 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102502776 554943688 /nfs/dbraw/zinc/94/36/88/554943688.db2.gz WCUBYZJQDKAULV-WGGXKBPPSA-N 1 2 566.695 4.725 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000102506424 554944531 /nfs/dbraw/zinc/94/45/31/554944531.db2.gz OLQXCWDRSFYSPR-MIOXIQPJSA-N 1 2 544.623 4.857 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000102506432 554944606 /nfs/dbraw/zinc/94/46/06/554944606.db2.gz OLQXCWDRSFYSPR-WGGXKBPPSA-N 1 2 544.623 4.857 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102509315 554945658 /nfs/dbraw/zinc/94/56/58/554945658.db2.gz AEYWMXMQOACDFC-SBXHHDGASA-N 1 2 509.990 4.846 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102509315 554945655 /nfs/dbraw/zinc/94/56/55/554945655.db2.gz AEYWMXMQOACDFC-SBXHHDGASA-N 1 2 509.990 4.846 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102509325 554945632 /nfs/dbraw/zinc/94/56/32/554945632.db2.gz AEYWMXMQOACDFC-NXLSWJSLSA-N 1 2 509.990 4.846 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102509325 554945630 /nfs/dbraw/zinc/94/56/30/554945630.db2.gz AEYWMXMQOACDFC-NXLSWJSLSA-N 1 2 509.990 4.846 50 30 KJEALO O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000102510793 554946274 /nfs/dbraw/zinc/94/62/74/554946274.db2.gz LEKRUPLBMKGMFB-YDJIHCHBSA-N 1 2 500.780 4.811 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000102510793 554946270 /nfs/dbraw/zinc/94/62/70/554946270.db2.gz LEKRUPLBMKGMFB-YDJIHCHBSA-N 1 2 500.780 4.811 50 30 KJEALO O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1 ZINC000102510804 554946250 /nfs/dbraw/zinc/94/62/50/554946250.db2.gz LEKRUPLBMKGMFB-NHFXJNLRSA-N 1 2 500.780 4.811 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000102510804 554946248 /nfs/dbraw/zinc/94/62/48/554946248.db2.gz LEKRUPLBMKGMFB-NHFXJNLRSA-N 1 2 500.780 4.811 50 30 KJEALO Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(O)c2)cc1 ZINC000102515118 554947609 /nfs/dbraw/zinc/94/76/09/554947609.db2.gz RAWDOPNKBRFZAD-TXTDGAROSA-N 1 2 523.589 4.988 50 30 KJEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(O)c2)cc1 ZINC000102515118 554947608 /nfs/dbraw/zinc/94/76/08/554947608.db2.gz RAWDOPNKBRFZAD-TXTDGAROSA-N 1 2 523.589 4.988 50 30 KJEALO Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(O)c2)cc1 ZINC000102515125 554947615 /nfs/dbraw/zinc/94/76/15/554947615.db2.gz RAWDOPNKBRFZAD-DFXXOVSGSA-N 1 2 523.589 4.988 50 30 KJEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(O)c2)cc1 ZINC000102515125 554947614 /nfs/dbraw/zinc/94/76/14/554947614.db2.gz RAWDOPNKBRFZAD-DFXXOVSGSA-N 1 2 523.589 4.988 50 30 KJEALO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000102524912 554951618 /nfs/dbraw/zinc/95/16/18/554951618.db2.gz BOEXREWSYQOUDV-AHPONGEQSA-N 1 2 586.685 4.822 50 30 KJEALO CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000102524919 554951572 /nfs/dbraw/zinc/95/15/72/554951572.db2.gz BOEXREWSYQOUDV-ZORLYMSLSA-N 1 2 586.685 4.822 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102525445 554951965 /nfs/dbraw/zinc/95/19/65/554951965.db2.gz FRRGCENNCQAQRK-SBXHHDGASA-N 1 2 509.990 4.846 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102525445 554951963 /nfs/dbraw/zinc/95/19/63/554951963.db2.gz FRRGCENNCQAQRK-SBXHHDGASA-N 1 2 509.990 4.846 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102525452 554951855 /nfs/dbraw/zinc/95/18/55/554951855.db2.gz FRRGCENNCQAQRK-NXLSWJSLSA-N 1 2 509.990 4.846 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102525452 554951853 /nfs/dbraw/zinc/95/18/53/554951853.db2.gz FRRGCENNCQAQRK-NXLSWJSLSA-N 1 2 509.990 4.846 50 30 KJEALO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000102525965 554951906 /nfs/dbraw/zinc/95/19/06/554951906.db2.gz YDGIBFIRDKZEGB-AHPONGEQSA-N 1 2 586.685 4.822 50 30 KJEALO CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000102525971 554951911 /nfs/dbraw/zinc/95/19/11/554951911.db2.gz YDGIBFIRDKZEGB-ZORLYMSLSA-N 1 2 586.685 4.822 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000102526944 554952110 /nfs/dbraw/zinc/95/21/10/554952110.db2.gz SVTURORWDXSSSB-MRJHHRETSA-N 1 2 509.817 4.791 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000102526953 554952157 /nfs/dbraw/zinc/95/21/57/554952157.db2.gz SVTURORWDXSSSB-JBCNATCCSA-N 1 2 509.817 4.791 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000102527022 554952517 /nfs/dbraw/zinc/95/25/17/554952517.db2.gz LOXHDCRLGKEFRN-QOISPNJLSA-N 1 2 578.706 4.732 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000102527028 554952478 /nfs/dbraw/zinc/95/24/78/554952478.db2.gz LOXHDCRLGKEFRN-FCLPXNLHSA-N 1 2 578.706 4.732 50 30 KJEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cnn1-c1ccccc1 ZINC000102535369 554955318 /nfs/dbraw/zinc/95/53/18/554955318.db2.gz UAKWUTWHUAECJS-TXTDGAROSA-N 1 2 542.680 4.622 50 30 KJEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cnn1-c1ccccc1 ZINC000102535379 554955340 /nfs/dbraw/zinc/95/53/40/554955340.db2.gz UAKWUTWHUAECJS-DFXXOVSGSA-N 1 2 542.680 4.622 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000102538103 554956291 /nfs/dbraw/zinc/95/62/91/554956291.db2.gz LHFCTFNMPQWIQE-NPJIAGGLSA-N 1 2 513.034 4.616 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccs2)ccc1OCc1ccccc1 ZINC000102538836 554956512 /nfs/dbraw/zinc/95/65/12/554956512.db2.gz BMONRLAJHNMKOS-ONQGDUAMSA-N 1 2 532.662 4.780 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccs2)ccc1OCc1ccccc1 ZINC000102538842 554956565 /nfs/dbraw/zinc/95/65/65/554956565.db2.gz BMONRLAJHNMKOS-UUALVTFQSA-N 1 2 532.662 4.780 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102544123 554958492 /nfs/dbraw/zinc/95/84/92/554958492.db2.gz XJDCUOAOBXDZRH-ZHHPLPSFSA-N 1 2 524.415 4.946 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102544123 554958490 /nfs/dbraw/zinc/95/84/90/554958490.db2.gz XJDCUOAOBXDZRH-ZHHPLPSFSA-N 1 2 524.415 4.946 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102544131 554958426 /nfs/dbraw/zinc/95/84/26/554958426.db2.gz XJDCUOAOBXDZRH-AYWGPLOBSA-N 1 2 524.415 4.946 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102544131 554958424 /nfs/dbraw/zinc/95/84/24/554958424.db2.gz XJDCUOAOBXDZRH-AYWGPLOBSA-N 1 2 524.415 4.946 50 30 KJEALO Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)o1 ZINC000102549168 554960809 /nfs/dbraw/zinc/96/08/09/554960809.db2.gz ZGNLOWYYCFFFFQ-TXTDGAROSA-N 1 2 530.621 4.619 50 30 KJEALO Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)o1 ZINC000102549177 554960846 /nfs/dbraw/zinc/96/08/46/554960846.db2.gz ZGNLOWYYCFFFFQ-DFXXOVSGSA-N 1 2 530.621 4.619 50 30 KJEALO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102550904 554961761 /nfs/dbraw/zinc/96/17/61/554961761.db2.gz KFAKDBOVAUYAJF-QMMFTLRZSA-N 1 2 556.659 4.727 50 30 KJEALO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102550914 554961645 /nfs/dbraw/zinc/96/16/45/554961645.db2.gz KFAKDBOVAUYAJF-VEZPTTSMSA-N 1 2 556.659 4.727 50 30 KJEALO CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000102551584 554962221 /nfs/dbraw/zinc/96/22/21/554962221.db2.gz ZARMETZRFJQCQZ-VEZPTTSMSA-N 1 2 594.705 4.570 50 30 KJEALO CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000102551591 554962270 /nfs/dbraw/zinc/96/22/70/554962270.db2.gz ZARMETZRFJQCQZ-QMMFTLRZSA-N 1 2 594.705 4.570 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1O ZINC000102553990 554963393 /nfs/dbraw/zinc/96/33/93/554963393.db2.gz IRUZXMBPBXMCLS-MIOXIQPJSA-N 1 2 553.615 4.997 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1O ZINC000102553999 554963485 /nfs/dbraw/zinc/96/34/85/554963485.db2.gz IRUZXMBPBXMCLS-WGGXKBPPSA-N 1 2 553.615 4.997 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102562091 554968686 /nfs/dbraw/zinc/96/86/86/554968686.db2.gz JQPAXAXISHMXGP-YREDKMEYSA-N 1 2 545.636 4.906 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102562100 554968692 /nfs/dbraw/zinc/96/86/92/554968692.db2.gz JQPAXAXISHMXGP-YFVVEFNMSA-N 1 2 545.636 4.906 50 30 KJEALO CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102564445 554969442 /nfs/dbraw/zinc/96/94/42/554969442.db2.gz AUFJWJQMANGWKS-NKHPTUSLSA-N 1 2 501.583 4.507 50 30 KJEALO CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102564450 554969533 /nfs/dbraw/zinc/96/95/33/554969533.db2.gz AUFJWJQMANGWKS-ONLXDWTESA-N 1 2 501.583 4.507 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102569841 554970314 /nfs/dbraw/zinc/97/03/14/554970314.db2.gz LPEFLPRINMICQQ-WGGXKBPPSA-N 1 2 551.599 4.745 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102569850 554970250 /nfs/dbraw/zinc/97/02/50/554970250.db2.gz LPEFLPRINMICQQ-MIOXIQPJSA-N 1 2 551.599 4.745 50 30 KJEALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102611896 554981709 /nfs/dbraw/zinc/98/17/09/554981709.db2.gz ZXOWCFFUHCGIIA-RUZDIDTESA-N 1 2 544.048 4.624 50 30 KJEALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102611898 554981743 /nfs/dbraw/zinc/98/17/43/554981743.db2.gz ZXOWCFFUHCGIIA-VWLOTQADSA-N 1 2 544.048 4.624 50 30 KJEALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102612200 554982066 /nfs/dbraw/zinc/98/20/66/554982066.db2.gz SKYRHXILNHGKJU-AREMUKBSSA-N 1 2 559.610 4.850 50 30 KJEALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102612205 554982056 /nfs/dbraw/zinc/98/20/56/554982056.db2.gz SKYRHXILNHGKJU-SANMLTNESA-N 1 2 559.610 4.850 50 30 KJEALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102612406 554982084 /nfs/dbraw/zinc/98/20/84/554982084.db2.gz UULAFOYHUXSITP-HHHXNRCGSA-N 1 2 559.610 4.850 50 30 KJEALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102612410 554982012 /nfs/dbraw/zinc/98/20/12/554982012.db2.gz UULAFOYHUXSITP-MHZLTWQESA-N 1 2 559.610 4.850 50 30 KJEALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102612650 554982033 /nfs/dbraw/zinc/98/20/33/554982033.db2.gz LRZDYGHAQCGZKC-HHHXNRCGSA-N 1 2 544.048 4.624 50 30 KJEALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102612654 554981968 /nfs/dbraw/zinc/98/19/68/554981968.db2.gz LRZDYGHAQCGZKC-MHZLTWQESA-N 1 2 544.048 4.624 50 30 KJEALO CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102642838 554990994 /nfs/dbraw/zinc/99/09/94/554990994.db2.gz WVISHBGOPPUFPH-HXUDZCJASA-N 1 2 548.680 4.723 50 30 KJEALO CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102642839 554991035 /nfs/dbraw/zinc/99/10/35/554991035.db2.gz WVISHBGOPPUFPH-XIFSCCLJSA-N 1 2 548.680 4.723 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000102648104 554993762 /nfs/dbraw/zinc/99/37/62/554993762.db2.gz LOXHDCRLGKEFRN-TVKWNQJWSA-N 1 2 578.706 4.732 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000102648105 554993856 /nfs/dbraw/zinc/99/38/56/554993856.db2.gz LOXHDCRLGKEFRN-YELMDPSYSA-N 1 2 578.706 4.732 50 30 KJEALO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1OCCC(C)C ZINC000102653713 554997472 /nfs/dbraw/zinc/99/74/72/554997472.db2.gz OAGHFCAUAFMJLQ-WGGXKBPPSA-N 1 2 575.662 4.990 50 30 KJEALO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1OCCC(C)C ZINC000102653714 554997426 /nfs/dbraw/zinc/99/74/26/554997426.db2.gz OAGHFCAUAFMJLQ-MIOXIQPJSA-N 1 2 575.662 4.990 50 30 KJEALO CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102654065 554997664 /nfs/dbraw/zinc/99/76/64/554997664.db2.gz VIWHCYMLIIUGIP-UUALVTFQSA-N 1 2 531.609 4.735 50 30 KJEALO CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102654067 554997671 /nfs/dbraw/zinc/99/76/71/554997671.db2.gz VIWHCYMLIIUGIP-ONQGDUAMSA-N 1 2 531.609 4.735 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102655253 554998020 /nfs/dbraw/zinc/99/80/20/554998020.db2.gz JQPAXAXISHMXGP-FGEDTZIGSA-N 1 2 545.636 4.906 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102655256 554998081 /nfs/dbraw/zinc/99/80/81/554998081.db2.gz JQPAXAXISHMXGP-LODGOHBISA-N 1 2 545.636 4.906 50 30 KJEALO CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102655370 554998237 /nfs/dbraw/zinc/99/82/37/554998237.db2.gz AUFJWJQMANGWKS-HUPAGYGUSA-N 1 2 501.583 4.507 50 30 KJEALO CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102655371 554998381 /nfs/dbraw/zinc/99/83/81/554998381.db2.gz AUFJWJQMANGWKS-KXCNXCNDSA-N 1 2 501.583 4.507 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102655795 554998775 /nfs/dbraw/zinc/99/87/75/554998775.db2.gz AFZZLUJKUDGPFR-DFXXOVSGSA-N 1 2 561.635 4.744 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102655797 554998640 /nfs/dbraw/zinc/99/86/40/554998640.db2.gz AFZZLUJKUDGPFR-TXTDGAROSA-N 1 2 561.635 4.744 50 30 KJEALO CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102656110 554999054 /nfs/dbraw/zinc/99/90/54/554999054.db2.gz POIHTNUVGJYGGH-DFXXOVSGSA-N 1 2 561.635 4.744 50 30 KJEALO CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102656112 554999040 /nfs/dbraw/zinc/99/90/40/554999040.db2.gz POIHTNUVGJYGGH-TXTDGAROSA-N 1 2 561.635 4.744 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3cccnc3)cc2)c1 ZINC000102706243 555014776 /nfs/dbraw/zinc/01/47/76/555014776.db2.gz WOUYSXRRCLONES-ONQGDUAMSA-N 1 2 508.578 4.678 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cccnc3)cc2)c1 ZINC000102706245 555014788 /nfs/dbraw/zinc/01/47/88/555014788.db2.gz WOUYSXRRCLONES-UUALVTFQSA-N 1 2 508.578 4.678 50 30 KJEALO Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)o1 ZINC000102707446 555015437 /nfs/dbraw/zinc/01/54/37/555015437.db2.gz CPYBAGUUGBYHQD-TXTDGAROSA-N 1 2 530.621 4.619 50 30 KJEALO Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)o1 ZINC000102707451 555015422 /nfs/dbraw/zinc/01/54/22/555015422.db2.gz CPYBAGUUGBYHQD-DFXXOVSGSA-N 1 2 530.621 4.619 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccncc3)cc2)c1 ZINC000102712559 555017361 /nfs/dbraw/zinc/01/73/61/555017361.db2.gz WKYZWVNQZWKHHP-ONQGDUAMSA-N 1 2 508.578 4.678 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccncc3)cc2)c1 ZINC000102712565 555017330 /nfs/dbraw/zinc/01/73/30/555017330.db2.gz WKYZWVNQZWKHHP-UUALVTFQSA-N 1 2 508.578 4.678 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3cccs3)cc2)c1 ZINC000102716120 555018679 /nfs/dbraw/zinc/01/86/79/555018679.db2.gz GZCNMEUSGXQDAW-ONQGDUAMSA-N 1 2 532.662 4.780 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3cccs3)cc2)c1 ZINC000102716122 555018945 /nfs/dbraw/zinc/01/89/45/555018945.db2.gz GZCNMEUSGXQDAW-UUALVTFQSA-N 1 2 532.662 4.780 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccccc3)cc2)c1 ZINC000102718474 555019327 /nfs/dbraw/zinc/01/93/27/555019327.db2.gz UQFSUPLWCHCQRA-MIOXIQPJSA-N 1 2 526.633 4.718 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccccc3)cc2)c1 ZINC000102718476 555019287 /nfs/dbraw/zinc/01/92/87/555019287.db2.gz UQFSUPLWCHCQRA-WGGXKBPPSA-N 1 2 526.633 4.718 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000102721093 555020265 /nfs/dbraw/zinc/02/02/65/555020265.db2.gz LOVHFWLONZXSEJ-MIOXIQPJSA-N 1 2 544.623 4.857 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000102721095 555020200 /nfs/dbraw/zinc/02/02/00/555020200.db2.gz LOVHFWLONZXSEJ-WGGXKBPPSA-N 1 2 544.623 4.857 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccc(O)cc3)cc2)c1 ZINC000102722035 555020440 /nfs/dbraw/zinc/02/04/40/555020440.db2.gz QKKLVTJOSMRGCW-TXTDGAROSA-N 1 2 523.589 4.988 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccc(O)cc3)cc2)c1 ZINC000102722035 555020436 /nfs/dbraw/zinc/02/04/36/555020436.db2.gz QKKLVTJOSMRGCW-TXTDGAROSA-N 1 2 523.589 4.988 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccc(O)cc3)cc2)c1 ZINC000102722038 555020329 /nfs/dbraw/zinc/02/03/29/555020329.db2.gz QKKLVTJOSMRGCW-DFXXOVSGSA-N 1 2 523.589 4.988 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccc(O)cc3)cc2)c1 ZINC000102722038 555020326 /nfs/dbraw/zinc/02/03/26/555020326.db2.gz QKKLVTJOSMRGCW-DFXXOVSGSA-N 1 2 523.589 4.988 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000102725549 555021241 /nfs/dbraw/zinc/02/12/41/555021241.db2.gz AOHPHOXNWFPHHL-TXTDGAROSA-N 1 2 523.589 4.988 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000102725549 555021239 /nfs/dbraw/zinc/02/12/39/555021239.db2.gz AOHPHOXNWFPHHL-TXTDGAROSA-N 1 2 523.589 4.988 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000102725553 555021508 /nfs/dbraw/zinc/02/15/08/555021508.db2.gz AOHPHOXNWFPHHL-DFXXOVSGSA-N 1 2 523.589 4.988 50 30 KJEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000102725553 555021507 /nfs/dbraw/zinc/02/15/07/555021507.db2.gz AOHPHOXNWFPHHL-DFXXOVSGSA-N 1 2 523.589 4.988 50 30 KJEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735256 555025022 /nfs/dbraw/zinc/02/50/22/555025022.db2.gz LRGLOGHYCUXFPO-OHIHJGSSSA-N 1 2 568.670 4.733 50 30 KJEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735258 555025336 /nfs/dbraw/zinc/02/53/36/555025336.db2.gz LRGLOGHYCUXFPO-BBHPREIXSA-N 1 2 568.670 4.733 50 30 KJEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735260 555025253 /nfs/dbraw/zinc/02/52/53/555025253.db2.gz LRGLOGHYCUXFPO-MXGWOCHPSA-N 1 2 568.670 4.733 50 30 KJEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735262 555025292 /nfs/dbraw/zinc/02/52/92/555025292.db2.gz LRGLOGHYCUXFPO-YVFJIHQOSA-N 1 2 568.670 4.733 50 30 KJEALO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CCO[C@@H](c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000102794893 555071203 /nfs/dbraw/zinc/07/12/03/555071203.db2.gz MQVZHIWPARJRSA-SANMLTNESA-N 1 2 529.584 4.690 50 30 KJEALO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CCO[C@H](c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000102794894 555071263 /nfs/dbraw/zinc/07/12/63/555071263.db2.gz MQVZHIWPARJRSA-AREMUKBSSA-N 1 2 529.584 4.690 50 30 KJEALO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000102794919 555071278 /nfs/dbraw/zinc/07/12/78/555071278.db2.gz TWNPHCVACQSACM-UHFFFAOYSA-N 1 2 530.477 4.978 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102857161 555088606 /nfs/dbraw/zinc/08/86/06/555088606.db2.gz ZXBYVHLOFMGVQM-ONQGDUAMSA-N 1 2 506.643 4.743 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102857164 555088551 /nfs/dbraw/zinc/08/85/51/555088551.db2.gz ZXBYVHLOFMGVQM-UUALVTFQSA-N 1 2 506.643 4.743 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2)ccc1OCc1ccccc1 ZINC000102860407 555090652 /nfs/dbraw/zinc/09/06/52/555090652.db2.gz DYYFVZVIVUHXBE-MIOXIQPJSA-N 1 2 526.633 4.718 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccc2)ccc1OCc1ccccc1 ZINC000102860411 555090586 /nfs/dbraw/zinc/09/05/86/555090586.db2.gz DYYFVZVIVUHXBE-WGGXKBPPSA-N 1 2 526.633 4.718 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000102860777 555090977 /nfs/dbraw/zinc/09/09/77/555090977.db2.gz RQABDAUERFBQPR-MIOXIQPJSA-N 1 2 544.623 4.857 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000102860783 555091256 /nfs/dbraw/zinc/09/12/56/555091256.db2.gz RQABDAUERFBQPR-WGGXKBPPSA-N 1 2 544.623 4.857 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000102861590 555091567 /nfs/dbraw/zinc/09/15/67/555091567.db2.gz DUEXNGUJYZTVOF-CZNAVJSXSA-N 1 2 527.061 4.971 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000102861595 555091621 /nfs/dbraw/zinc/09/16/21/555091621.db2.gz DUEXNGUJYZTVOF-CJJGVWJISA-N 1 2 527.061 4.971 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102863226 555092850 /nfs/dbraw/zinc/09/28/50/555092850.db2.gz GIXKJVPUYRJSHT-MIOXIQPJSA-N 1 2 571.630 4.626 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102863232 555092942 /nfs/dbraw/zinc/09/29/42/555092942.db2.gz GIXKJVPUYRJSHT-WGGXKBPPSA-N 1 2 571.630 4.626 50 30 KJEALO CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102865055 555094965 /nfs/dbraw/zinc/09/49/65/555094965.db2.gz ABYMGAFBZYDRAN-ZHHPLPSFSA-N 1 2 524.415 4.946 50 30 KJEALO CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102865055 555094963 /nfs/dbraw/zinc/09/49/63/555094963.db2.gz ABYMGAFBZYDRAN-ZHHPLPSFSA-N 1 2 524.415 4.946 50 30 KJEALO CCCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102865058 555094927 /nfs/dbraw/zinc/09/49/27/555094927.db2.gz ABYMGAFBZYDRAN-AYWGPLOBSA-N 1 2 524.415 4.946 50 30 KJEALO CCCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102865058 555094925 /nfs/dbraw/zinc/09/49/25/555094925.db2.gz ABYMGAFBZYDRAN-AYWGPLOBSA-N 1 2 524.415 4.946 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102868158 555097642 /nfs/dbraw/zinc/09/76/42/555097642.db2.gz GJPBVECPFVQMLZ-NKHPTUSLSA-N 1 2 501.583 4.507 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102868158 555097641 /nfs/dbraw/zinc/09/76/41/555097641.db2.gz GJPBVECPFVQMLZ-NKHPTUSLSA-N 1 2 501.583 4.507 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102868161 555097521 /nfs/dbraw/zinc/09/75/21/555097521.db2.gz GJPBVECPFVQMLZ-ONLXDWTESA-N 1 2 501.583 4.507 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102868161 555097519 /nfs/dbraw/zinc/09/75/19/555097519.db2.gz GJPBVECPFVQMLZ-ONLXDWTESA-N 1 2 501.583 4.507 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102868163 555097625 /nfs/dbraw/zinc/09/76/25/555097625.db2.gz GJPBVECPFVQMLZ-HUPAGYGUSA-N 1 2 501.583 4.507 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102868163 555097623 /nfs/dbraw/zinc/09/76/23/555097623.db2.gz GJPBVECPFVQMLZ-HUPAGYGUSA-N 1 2 501.583 4.507 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102868165 555097490 /nfs/dbraw/zinc/09/74/90/555097490.db2.gz GJPBVECPFVQMLZ-KXCNXCNDSA-N 1 2 501.583 4.507 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102868165 555097488 /nfs/dbraw/zinc/09/74/88/555097488.db2.gz GJPBVECPFVQMLZ-KXCNXCNDSA-N 1 2 501.583 4.507 50 30 KJEALO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCc1ccccc1 ZINC000102869407 555098906 /nfs/dbraw/zinc/09/89/06/555098906.db2.gz GMFUNKUDXKJXCX-KFLIVHAJSA-N 1 2 614.695 4.580 50 30 KJEALO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCc1ccccc1 ZINC000102869409 555098815 /nfs/dbraw/zinc/09/88/15/555098815.db2.gz GMFUNKUDXKJXCX-SZYGQJGOSA-N 1 2 614.695 4.580 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1OCc1ccccc1 ZINC000102869832 555099545 /nfs/dbraw/zinc/09/95/45/555099545.db2.gz SDMVDRIUXKTWKA-VEZPTTSMSA-N 1 2 581.625 4.754 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1OCc1ccccc1 ZINC000102869835 555099505 /nfs/dbraw/zinc/09/95/05/555099505.db2.gz SDMVDRIUXKTWKA-QMMFTLRZSA-N 1 2 581.625 4.754 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102870362 555100645 /nfs/dbraw/zinc/10/06/45/555100645.db2.gz QWMGWDLQHBYAKR-DFXXOVSGSA-N 1 2 537.572 4.959 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102870368 555100698 /nfs/dbraw/zinc/10/06/98/555100698.db2.gz QWMGWDLQHBYAKR-TXTDGAROSA-N 1 2 537.572 4.959 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102870565 555100680 /nfs/dbraw/zinc/10/06/80/555100680.db2.gz HHZDVSIRPNUMRR-WGGXKBPPSA-N 1 2 566.695 4.581 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102870568 555100736 /nfs/dbraw/zinc/10/07/36/555100736.db2.gz HHZDVSIRPNUMRR-MIOXIQPJSA-N 1 2 566.695 4.581 50 30 KJEALO O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000102872222 555102698 /nfs/dbraw/zinc/10/26/98/555102698.db2.gz TWJRQMPHTRXCGY-WGGXKBPPSA-N 1 2 551.599 4.745 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000102872222 555102695 /nfs/dbraw/zinc/10/26/95/555102695.db2.gz TWJRQMPHTRXCGY-WGGXKBPPSA-N 1 2 551.599 4.745 50 30 KJEALO O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000102872224 555102748 /nfs/dbraw/zinc/10/27/48/555102748.db2.gz TWJRQMPHTRXCGY-MIOXIQPJSA-N 1 2 551.599 4.745 50 30 KJEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000102872224 555102746 /nfs/dbraw/zinc/10/27/46/555102746.db2.gz TWJRQMPHTRXCGY-MIOXIQPJSA-N 1 2 551.599 4.745 50 30 KJEALO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102874905 555104822 /nfs/dbraw/zinc/10/48/22/555104822.db2.gz FHZVVOGVPXKZET-ZORLYMSLSA-N 1 2 586.685 4.735 50 30 KJEALO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102874909 555104816 /nfs/dbraw/zinc/10/48/16/555104816.db2.gz FHZVVOGVPXKZET-AHPONGEQSA-N 1 2 586.685 4.735 50 30 KJEALO CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102875132 555105142 /nfs/dbraw/zinc/10/51/42/555105142.db2.gz MNGXGWWIGMWHTG-UUALVTFQSA-N 1 2 531.609 4.735 50 30 KJEALO CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102875134 555105165 /nfs/dbraw/zinc/10/51/65/555105165.db2.gz MNGXGWWIGMWHTG-ONQGDUAMSA-N 1 2 531.609 4.735 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102875566 555105527 /nfs/dbraw/zinc/10/55/27/555105527.db2.gz SVYMUFRVRAMTRI-DFXXOVSGSA-N 1 2 536.669 4.573 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102875571 555105487 /nfs/dbraw/zinc/10/54/87/555105487.db2.gz SVYMUFRVRAMTRI-TXTDGAROSA-N 1 2 536.669 4.573 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102875613 555105895 /nfs/dbraw/zinc/10/58/95/555105895.db2.gz QJMQFIVRKUVZBU-MIOXIQPJSA-N 1 2 542.632 4.940 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102875615 555105909 /nfs/dbraw/zinc/10/59/09/555105909.db2.gz QJMQFIVRKUVZBU-WGGXKBPPSA-N 1 2 542.632 4.940 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102876285 555106173 /nfs/dbraw/zinc/10/61/73/555106173.db2.gz LFDUZZGYWOXELK-DFXXOVSGSA-N 1 2 536.669 4.573 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102876289 555106158 /nfs/dbraw/zinc/10/61/58/555106158.db2.gz LFDUZZGYWOXELK-TXTDGAROSA-N 1 2 536.669 4.573 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102876564 555106308 /nfs/dbraw/zinc/10/63/08/555106308.db2.gz SHPUCVHFAYVULG-HOGKFDNTSA-N 1 2 510.388 4.556 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102876564 555106303 /nfs/dbraw/zinc/10/63/03/555106303.db2.gz SHPUCVHFAYVULG-HOGKFDNTSA-N 1 2 510.388 4.556 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102876566 555106207 /nfs/dbraw/zinc/10/62/07/555106207.db2.gz SHPUCVHFAYVULG-MOBKVPTQSA-N 1 2 510.388 4.556 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102876566 555106203 /nfs/dbraw/zinc/10/62/03/555106203.db2.gz SHPUCVHFAYVULG-MOBKVPTQSA-N 1 2 510.388 4.556 50 30 KJEALO Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(O)cc2)cc1 ZINC000102877052 555106576 /nfs/dbraw/zinc/10/65/76/555106576.db2.gz SMBDMGICOLULFW-TXTDGAROSA-N 1 2 523.589 4.988 50 30 KJEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(O)cc2)cc1 ZINC000102877052 555106571 /nfs/dbraw/zinc/10/65/71/555106571.db2.gz SMBDMGICOLULFW-TXTDGAROSA-N 1 2 523.589 4.988 50 30 KJEALO Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102877056 555106706 /nfs/dbraw/zinc/10/67/06/555106706.db2.gz SMBDMGICOLULFW-DFXXOVSGSA-N 1 2 523.589 4.988 50 30 KJEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102877056 555106704 /nfs/dbraw/zinc/10/67/04/555106704.db2.gz SMBDMGICOLULFW-DFXXOVSGSA-N 1 2 523.589 4.988 50 30 KJEALO CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102877395 555106887 /nfs/dbraw/zinc/10/68/87/555106887.db2.gz WWBZFKNGSLUCPE-AYWGPLOBSA-N 1 2 524.415 4.946 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102877395 555106884 /nfs/dbraw/zinc/10/68/84/555106884.db2.gz WWBZFKNGSLUCPE-AYWGPLOBSA-N 1 2 524.415 4.946 50 30 KJEALO CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102877397 555107018 /nfs/dbraw/zinc/10/70/18/555107018.db2.gz WWBZFKNGSLUCPE-ZHHPLPSFSA-N 1 2 524.415 4.946 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102877397 555107016 /nfs/dbraw/zinc/10/70/16/555107016.db2.gz WWBZFKNGSLUCPE-ZHHPLPSFSA-N 1 2 524.415 4.946 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000102877409 555106867 /nfs/dbraw/zinc/10/68/67/555106867.db2.gz PUXAIJIEOFGPKQ-MIOXIQPJSA-N 1 2 526.633 4.718 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000102877412 555106824 /nfs/dbraw/zinc/10/68/24/555106824.db2.gz PUXAIJIEOFGPKQ-WGGXKBPPSA-N 1 2 526.633 4.718 50 30 KJEALO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102877553 555106975 /nfs/dbraw/zinc/10/69/75/555106975.db2.gz YTGLMKJNOXGNPC-ZORLYMSLSA-N 1 2 586.685 4.735 50 30 KJEALO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102877555 555106997 /nfs/dbraw/zinc/10/69/97/555106997.db2.gz YTGLMKJNOXGNPC-AHPONGEQSA-N 1 2 586.685 4.735 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000102877575 555106874 /nfs/dbraw/zinc/10/68/74/555106874.db2.gz HCPVEMDHRZIZQQ-ZORLYMSLSA-N 1 2 616.711 4.744 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000102877579 555106844 /nfs/dbraw/zinc/10/68/44/555106844.db2.gz HCPVEMDHRZIZQQ-AHPONGEQSA-N 1 2 616.711 4.744 50 30 KJEALO CC[NH+](CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Br)cc1 ZINC000102881121 555109785 /nfs/dbraw/zinc/10/97/85/555109785.db2.gz QQGNBNKRESKAER-HOGKFDNTSA-N 1 2 501.421 4.530 50 30 KJEALO CC[NH+](CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Br)cc1 ZINC000102881126 555109893 /nfs/dbraw/zinc/10/98/93/555109893.db2.gz QQGNBNKRESKAER-MOBKVPTQSA-N 1 2 501.421 4.530 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccs1 ZINC000102881276 555109821 /nfs/dbraw/zinc/10/98/21/555109821.db2.gz RVJXYDKKYUJUHC-ONQGDUAMSA-N 1 2 532.662 4.780 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccs1 ZINC000102881278 555109928 /nfs/dbraw/zinc/10/99/28/555109928.db2.gz RVJXYDKKYUJUHC-UUALVTFQSA-N 1 2 532.662 4.780 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102883205 555111718 /nfs/dbraw/zinc/11/17/18/555111718.db2.gz AFYHYNRVBGBTFG-MIOXIQPJSA-N 1 2 571.630 4.626 50 30 KJEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102883207 555111698 /nfs/dbraw/zinc/11/16/98/555111698.db2.gz AFYHYNRVBGBTFG-WGGXKBPPSA-N 1 2 571.630 4.626 50 30 KJEALO COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102884257 555113139 /nfs/dbraw/zinc/11/31/39/555113139.db2.gz YPXDDXXYYZKDRA-QMMFTLRZSA-N 1 2 556.659 4.727 50 30 KJEALO COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102884259 555113151 /nfs/dbraw/zinc/11/31/51/555113151.db2.gz YPXDDXXYYZKDRA-VEZPTTSMSA-N 1 2 556.659 4.727 50 30 KJEALO CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102884446 555113429 /nfs/dbraw/zinc/11/34/29/555113429.db2.gz HPYPJSXQYCZYNA-VDLDRNGKSA-N 1 2 515.610 4.897 50 30 KJEALO CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102884448 555113521 /nfs/dbraw/zinc/11/35/21/555113521.db2.gz HPYPJSXQYCZYNA-PMABHTPKSA-N 1 2 515.610 4.897 50 30 KJEALO CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102884449 555113444 /nfs/dbraw/zinc/11/34/44/555113444.db2.gz HPYPJSXQYCZYNA-MNEKTFPPSA-N 1 2 515.610 4.897 50 30 KJEALO CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102884452 555113576 /nfs/dbraw/zinc/11/35/76/555113576.db2.gz HPYPJSXQYCZYNA-HGZLRSGXSA-N 1 2 515.610 4.897 50 30 KJEALO N#Cc1ccc(CO[C@@H](C[NH+]2CCN(C(=O)COCc3ccccc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000102885777 555116058 /nfs/dbraw/zinc/11/60/58/555116058.db2.gz BYJPFHBSXLGPSS-YTTGMZPUSA-N 1 2 538.692 4.777 50 30 KJEALO N#Cc1ccc(CO[C@H](C[NH+]2CCN(C(=O)COCc3ccccc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000102885780 555116151 /nfs/dbraw/zinc/11/61/51/555116151.db2.gz BYJPFHBSXLGPSS-JGCGQSQUSA-N 1 2 538.692 4.777 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102888307 555121457 /nfs/dbraw/zinc/12/14/57/555121457.db2.gz LFHXSORTISLMLN-VDLDRNGKSA-N 1 2 515.610 4.897 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102888307 555121455 /nfs/dbraw/zinc/12/14/55/555121455.db2.gz LFHXSORTISLMLN-VDLDRNGKSA-N 1 2 515.610 4.897 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102888308 555121483 /nfs/dbraw/zinc/12/14/83/555121483.db2.gz LFHXSORTISLMLN-PMABHTPKSA-N 1 2 515.610 4.897 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102888308 555121482 /nfs/dbraw/zinc/12/14/82/555121482.db2.gz LFHXSORTISLMLN-PMABHTPKSA-N 1 2 515.610 4.897 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102888309 555121465 /nfs/dbraw/zinc/12/14/65/555121465.db2.gz LFHXSORTISLMLN-MNEKTFPPSA-N 1 2 515.610 4.897 50 30 KJEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102888309 555121463 /nfs/dbraw/zinc/12/14/63/555121463.db2.gz LFHXSORTISLMLN-MNEKTFPPSA-N 1 2 515.610 4.897 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102888310 555121497 /nfs/dbraw/zinc/12/14/97/555121497.db2.gz LFHXSORTISLMLN-HGZLRSGXSA-N 1 2 515.610 4.897 50 30 KJEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102888310 555121495 /nfs/dbraw/zinc/12/14/95/555121495.db2.gz LFHXSORTISLMLN-HGZLRSGXSA-N 1 2 515.610 4.897 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102893876 555131594 /nfs/dbraw/zinc/13/15/94/555131594.db2.gz TTZZZJQFTDVFFJ-YREDKMEYSA-N 1 2 545.636 4.906 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102893878 555131601 /nfs/dbraw/zinc/13/16/01/555131601.db2.gz TTZZZJQFTDVFFJ-YFVVEFNMSA-N 1 2 545.636 4.906 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102893879 555131643 /nfs/dbraw/zinc/13/16/43/555131643.db2.gz TTZZZJQFTDVFFJ-FGEDTZIGSA-N 1 2 545.636 4.906 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102893881 555131654 /nfs/dbraw/zinc/13/16/54/555131654.db2.gz TTZZZJQFTDVFFJ-LODGOHBISA-N 1 2 545.636 4.906 50 30 KJEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1OCCC(C)C ZINC000102895475 555134711 /nfs/dbraw/zinc/13/47/11/555134711.db2.gz XQZCCTGJEMAZGJ-DFXXOVSGSA-N 1 2 561.635 4.600 50 30 KJEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1OCCC(C)C ZINC000102895479 555134694 /nfs/dbraw/zinc/13/46/94/555134694.db2.gz XQZCCTGJEMAZGJ-TXTDGAROSA-N 1 2 561.635 4.600 50 30 KJEALO CCOC(=O)c1cccc(NC(=O)N2CC[NH+](C[C@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)c1 ZINC000102915726 555143960 /nfs/dbraw/zinc/14/39/60/555143960.db2.gz YUYMPVPOUKQEBK-LJAQVGFWSA-N 1 2 542.636 4.851 50 30 KJEALO CCOC(=O)c1cccc(NC(=O)N2CC[NH+](C[C@@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)c1 ZINC000102915728 555144015 /nfs/dbraw/zinc/14/40/15/555144015.db2.gz YUYMPVPOUKQEBK-GDLZYMKVSA-N 1 2 542.636 4.851 50 30 KJEALO COC(=O)c1cccc(NC(=O)N2CC[NH+](C[C@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)c1C ZINC000102915741 555144048 /nfs/dbraw/zinc/14/40/48/555144048.db2.gz XTGOKJGBFKVJCO-LJAQVGFWSA-N 1 2 542.636 4.770 50 30 KJEALO COC(=O)c1cccc(NC(=O)N2CC[NH+](C[C@@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)c1C ZINC000102915742 555144002 /nfs/dbraw/zinc/14/40/02/555144002.db2.gz XTGOKJGBFKVJCO-GDLZYMKVSA-N 1 2 542.636 4.770 50 30 KJEALO CCOC(=O)c1ccc(NC(=O)N2CC[NH+](C[C@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)cc1 ZINC000102915786 555143985 /nfs/dbraw/zinc/14/39/85/555143985.db2.gz MIKRSDYUYFYKLY-LJAQVGFWSA-N 1 2 542.636 4.851 50 30 KJEALO CCOC(=O)c1ccc(NC(=O)N2CC[NH+](C[C@@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)cc1 ZINC000102915788 555144058 /nfs/dbraw/zinc/14/40/58/555144058.db2.gz MIKRSDYUYFYKLY-GDLZYMKVSA-N 1 2 542.636 4.851 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C)cc2)cc1C ZINC000102924967 555149181 /nfs/dbraw/zinc/14/91/81/555149181.db2.gz PIQVMTLYQJLJPT-ONQGDUAMSA-N 1 2 506.643 4.626 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000102924969 555149190 /nfs/dbraw/zinc/14/91/90/555149190.db2.gz PIQVMTLYQJLJPT-UUALVTFQSA-N 1 2 506.643 4.626 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102925987 555150367 /nfs/dbraw/zinc/15/03/67/555150367.db2.gz CFWMPEMKORBOCE-ONQGDUAMSA-N 1 2 520.670 4.917 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102925989 555150441 /nfs/dbraw/zinc/15/04/41/555150441.db2.gz CFWMPEMKORBOCE-UUALVTFQSA-N 1 2 520.670 4.917 50 30 KJEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccncc2)cc1 ZINC000102926006 555150322 /nfs/dbraw/zinc/15/03/22/555150322.db2.gz KJPGNPZKKOBBRJ-ONQGDUAMSA-N 1 2 508.578 4.678 50 30 KJEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccncc2)cc1 ZINC000102926009 555150359 /nfs/dbraw/zinc/15/03/59/555150359.db2.gz KJPGNPZKKOBBRJ-UUALVTFQSA-N 1 2 508.578 4.678 50 30 KJEALO CC[NH+](CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(OC)cc2C)[C@H]1c1ccc(Br)cc1 ZINC000102926087 555150384 /nfs/dbraw/zinc/15/03/84/555150384.db2.gz WUSRTLZYVWEWNC-HOGKFDNTSA-N 1 2 501.421 4.530 50 30 KJEALO CC[NH+](CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(OC)cc2C)[C@@H]1c1ccc(Br)cc1 ZINC000102926089 555150420 /nfs/dbraw/zinc/15/04/20/555150420.db2.gz WUSRTLZYVWEWNC-MOBKVPTQSA-N 1 2 501.421 4.530 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102927033 555151727 /nfs/dbraw/zinc/15/17/27/555151727.db2.gz JCZHWIFLGQBWIR-CJJGVWJISA-N 1 2 503.599 4.971 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102927033 555151725 /nfs/dbraw/zinc/15/17/25/555151725.db2.gz JCZHWIFLGQBWIR-CJJGVWJISA-N 1 2 503.599 4.971 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102927037 555151711 /nfs/dbraw/zinc/15/17/11/555151711.db2.gz JCZHWIFLGQBWIR-CZNAVJSXSA-N 1 2 503.599 4.971 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102927037 555151710 /nfs/dbraw/zinc/15/17/10/555151710.db2.gz JCZHWIFLGQBWIR-CZNAVJSXSA-N 1 2 503.599 4.971 50 30 KJEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102927935 555152901 /nfs/dbraw/zinc/15/29/01/555152901.db2.gz CBROOCOIZQCUTG-QKJBWNOYSA-N 1 2 532.641 4.814 50 30 KJEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102927935 555152899 /nfs/dbraw/zinc/15/28/99/555152899.db2.gz CBROOCOIZQCUTG-QKJBWNOYSA-N 1 2 532.641 4.814 50 30 KJEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102927939 555152934 /nfs/dbraw/zinc/15/29/34/555152934.db2.gz CBROOCOIZQCUTG-KQAPWQHSSA-N 1 2 532.641 4.814 50 30 KJEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102927939 555152932 /nfs/dbraw/zinc/15/29/32/555152932.db2.gz CBROOCOIZQCUTG-KQAPWQHSSA-N 1 2 532.641 4.814 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000102928027 555153246 /nfs/dbraw/zinc/15/32/46/555153246.db2.gz WZRXHGVHHGHLSD-MIOXIQPJSA-N 1 2 571.630 4.626 50 30 KJEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000102928030 555153237 /nfs/dbraw/zinc/15/32/37/555153237.db2.gz WZRXHGVHHGHLSD-WGGXKBPPSA-N 1 2 571.630 4.626 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000102928338 555153709 /nfs/dbraw/zinc/15/37/09/555153709.db2.gz LNZCJTBOHCXMQQ-ONQGDUAMSA-N 1 2 506.643 4.626 50 30 KJEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000102928340 555153763 /nfs/dbraw/zinc/15/37/63/555153763.db2.gz LNZCJTBOHCXMQQ-UUALVTFQSA-N 1 2 506.643 4.626 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102929180 555154743 /nfs/dbraw/zinc/15/47/43/555154743.db2.gz SIYVGCVFMQXVEV-CJJGVWJISA-N 1 2 519.598 4.591 50 30 KJEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102929180 555154740 /nfs/dbraw/zinc/15/47/40/555154740.db2.gz SIYVGCVFMQXVEV-CJJGVWJISA-N 1 2 519.598 4.591 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102929182 555154699 /nfs/dbraw/zinc/15/46/99/555154699.db2.gz SIYVGCVFMQXVEV-CZNAVJSXSA-N 1 2 519.598 4.591 50 30 KJEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102929182 555154697 /nfs/dbraw/zinc/15/46/97/555154697.db2.gz SIYVGCVFMQXVEV-CZNAVJSXSA-N 1 2 519.598 4.591 50 30 KJEALO CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102929871 555156206 /nfs/dbraw/zinc/15/62/06/555156206.db2.gz IKBKOOHRDXMHAK-AYWGPLOBSA-N 1 2 524.415 4.946 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102929871 555156203 /nfs/dbraw/zinc/15/62/03/555156203.db2.gz IKBKOOHRDXMHAK-AYWGPLOBSA-N 1 2 524.415 4.946 50 30 KJEALO CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102929874 555156239 /nfs/dbraw/zinc/15/62/39/555156239.db2.gz IKBKOOHRDXMHAK-ZHHPLPSFSA-N 1 2 524.415 4.946 50 30 KJEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102929874 555156236 /nfs/dbraw/zinc/15/62/36/555156236.db2.gz IKBKOOHRDXMHAK-ZHHPLPSFSA-N 1 2 524.415 4.946 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000102930289 555156709 /nfs/dbraw/zinc/15/67/09/555156709.db2.gz KJLATQVQXBAJBM-MIOXIQPJSA-N 1 2 542.632 4.940 50 30 KJEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000102930292 555156756 /nfs/dbraw/zinc/15/67/56/555156756.db2.gz KJLATQVQXBAJBM-WGGXKBPPSA-N 1 2 542.632 4.940 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000102930860 555158049 /nfs/dbraw/zinc/15/80/49/555158049.db2.gz IQMFVXGRJDGOSK-CZNAVJSXSA-N 1 2 519.598 4.591 50 30 KJEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000102930861 555158079 /nfs/dbraw/zinc/15/80/79/555158079.db2.gz IQMFVXGRJDGOSK-CJJGVWJISA-N 1 2 519.598 4.591 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102930949 555158313 /nfs/dbraw/zinc/15/83/13/555158313.db2.gz DBUBLDZYZCQOBB-KXDYMIPJSA-N 1 2 531.609 4.516 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102930950 555158268 /nfs/dbraw/zinc/15/82/68/555158268.db2.gz DBUBLDZYZCQOBB-ZLYDLHQSSA-N 1 2 531.609 4.516 50 30 KJEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102930951 555158224 /nfs/dbraw/zinc/15/82/24/555158224.db2.gz DBUBLDZYZCQOBB-NGAXIMOQSA-N 1 2 531.609 4.516 50 30 KJEALO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102930952 555158176 /nfs/dbraw/zinc/15/81/76/555158176.db2.gz DBUBLDZYZCQOBB-JLPDLQRYSA-N 1 2 531.609 4.516 50 30 KJEALO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCCC(C)C ZINC000102931472 555158757 /nfs/dbraw/zinc/15/87/57/555158757.db2.gz DEEOTAZKKKRPKC-YVFJIHQOSA-N 1 2 592.733 4.978 50 30 KJEALO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCCC(C)C ZINC000102931476 555158859 /nfs/dbraw/zinc/15/88/59/555158859.db2.gz DEEOTAZKKKRPKC-BBHPREIXSA-N 1 2 592.733 4.978 50 30 KJEALO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCCC(C)C ZINC000102931478 555158771 /nfs/dbraw/zinc/15/87/71/555158771.db2.gz DEEOTAZKKKRPKC-MXGWOCHPSA-N 1 2 592.733 4.978 50 30 KJEALO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCCC(C)C ZINC000102931482 555158838 /nfs/dbraw/zinc/15/88/38/555158838.db2.gz DEEOTAZKKKRPKC-OHIHJGSSSA-N 1 2 592.733 4.978 50 30 KJEALO CCCCCCCCS(=O)(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000103013461 555207848 /nfs/dbraw/zinc/20/78/48/555207848.db2.gz QQGHUKUPFGOFCS-MHZLTWQESA-N 1 2 535.751 4.669 50 30 KJEALO CCCCCCCCS(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000103013461 555207847 /nfs/dbraw/zinc/20/78/47/555207847.db2.gz QQGHUKUPFGOFCS-MHZLTWQESA-N 1 2 535.751 4.669 50 30 KJEALO CCCCCCCCS(=O)(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000103013463 555207870 /nfs/dbraw/zinc/20/78/70/555207870.db2.gz QQGHUKUPFGOFCS-HHHXNRCGSA-N 1 2 535.751 4.669 50 30 KJEALO CCCCCCCCS(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000103013463 555207869 /nfs/dbraw/zinc/20/78/69/555207869.db2.gz QQGHUKUPFGOFCS-HHHXNRCGSA-N 1 2 535.751 4.669 50 30 KJEALO COc1ccc(C(=O)N2CC[NH+](C[C@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)c(OC)c1 ZINC000103031861 555219610 /nfs/dbraw/zinc/21/96/10/555219610.db2.gz OGNFCCWMNWSMBQ-YTTGMZPUSA-N 1 2 554.691 4.892 50 30 KJEALO COc1ccc(C(=O)N2CC[NH+](C[C@@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)c(OC)c1 ZINC000103031864 555219500 /nfs/dbraw/zinc/21/95/00/555219500.db2.gz OGNFCCWMNWSMBQ-JGCGQSQUSA-N 1 2 554.691 4.892 50 30 KJEALO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4cccc([N+](=O)[O-])c4)cn32)CC1 ZINC000103087303 555265900 /nfs/dbraw/zinc/26/59/00/555265900.db2.gz LPRJXVMAMHHOQR-UHFFFAOYSA-N 1 2 578.654 4.955 50 30 KJEALO CSc1ncccc1C(=O)N1CC[NH+](C[C@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000103100529 555278261 /nfs/dbraw/zinc/27/82/61/555278261.db2.gz AUUSESBGNIRENU-LJAQVGFWSA-N 1 2 541.721 4.991 50 30 KJEALO CSc1ncccc1C(=O)N1CC[NH+](C[C@@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000103100532 555278250 /nfs/dbraw/zinc/27/82/50/555278250.db2.gz AUUSESBGNIRENU-GDLZYMKVSA-N 1 2 541.721 4.991 50 30 KJEALO COC(=O)c1ccc(C(=O)N2CC[NH+](C[C@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)cc1 ZINC000103107613 555283825 /nfs/dbraw/zinc/28/38/25/555283825.db2.gz GIZRTIONWSXDRP-HKBQPEDESA-N 1 2 552.675 4.661 50 30 KJEALO 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C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=[NH+]/CCC3=CCCCC3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000252694112 572281629 /nfs/dbraw/zinc/28/16/29/572281629.db2.gz IBDYGFADBPCGQE-GWROSSDJSA-N 1 2 511.703 4.661 50 30 KJEALO CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCCc3[nH+]c4ccccc4n3C(C)C)C1=O)O2 ZINC000253403517 572285699 /nfs/dbraw/zinc/28/56/99/572285699.db2.gz HFMSMJRMNPRRQU-RZMWZYTASA-N 1 2 543.620 4.722 50 30 KJEALO CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCCc3[nH+]c4ccccc4n3CC(C)C)C1=O)O2 ZINC000253412613 572288009 /nfs/dbraw/zinc/28/80/09/572288009.db2.gz RNDCRZINZIKNMM-CWYWUFEUSA-N 1 2 557.647 4.797 50 30 KJEALO N#CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]21 ZINC000253488134 572291315 /nfs/dbraw/zinc/29/13/15/572291315.db2.gz XUPCNGKJFFMIDV-GGVMLGSCSA-N 1 2 552.590 4.966 50 30 KJEALO N#CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]21 ZINC000253488134 572291314 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