smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2Cl)cs1 ZINC000036914532 337793969 /nfs/dbraw/zinc/79/39/69/337793969.db2.gz OMEPHBBTTGNVTO-BDAKNGLRSA-N 1 2 315.269 5.170 20 0 DKADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(F)cc1Cl ZINC000037771834 340786841 /nfs/dbraw/zinc/78/68/41/340786841.db2.gz XSZCCRKCWOVVDM-UWVGGRQHSA-N 1 2 313.750 5.169 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(F)cc1Cl ZINC000037771835 340786769 /nfs/dbraw/zinc/78/67/69/340786769.db2.gz XSZCCRKCWOVVDM-ZJUUUORDSA-N 1 2 313.750 5.169 20 0 DKADLO C[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1cc2ccccc2o1 ZINC000067184565 340855478 /nfs/dbraw/zinc/85/54/78/340855478.db2.gz ZDQRBGITNLRELP-LBPRGKRZSA-N 1 2 314.454 5.038 20 0 DKADLO C[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1ccc(Cl)s1 ZINC000067185905 340855568 /nfs/dbraw/zinc/85/55/68/340855568.db2.gz ULZDLTYMGRKHGW-VIFPVBQESA-N 1 2 314.907 5.006 20 0 DKADLO CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1Cl)c1nccs1 ZINC000080260312 341271688 /nfs/dbraw/zinc/27/16/88/341271688.db2.gz JVOIMKPFYGVBCM-ZANVPECISA-N 1 2 315.269 5.252 20 0 DKADLO CC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1Cl)c1nccs1 ZINC000080260317 341271729 /nfs/dbraw/zinc/27/17/29/341271729.db2.gz JVOIMKPFYGVBCM-TVQRCGJNSA-N 1 2 315.269 5.252 20 0 DKADLO CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1Cl)c1nccs1 ZINC000080260322 341271722 /nfs/dbraw/zinc/27/17/22/341271722.db2.gz JVOIMKPFYGVBCM-RNCFNFMXSA-N 1 2 315.269 5.252 20 0 DKADLO CC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1Cl)c1nccs1 ZINC000080260327 341271654 /nfs/dbraw/zinc/27/16/54/341271654.db2.gz JVOIMKPFYGVBCM-NOZJJQNGSA-N 1 2 315.269 5.252 20 0 DKADLO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)c1nccs1 ZINC000080260330 341271786 /nfs/dbraw/zinc/27/17/86/341271786.db2.gz OIBRHLPZNRFGQE-ZANVPECISA-N 1 2 315.269 5.252 20 0 DKADLO CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)c1nccs1 ZINC000080260333 341271771 /nfs/dbraw/zinc/27/17/71/341271771.db2.gz OIBRHLPZNRFGQE-TVQRCGJNSA-N 1 2 315.269 5.252 20 0 DKADLO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1Cl)c1nccs1 ZINC000080260337 341271644 /nfs/dbraw/zinc/27/16/44/341271644.db2.gz OIBRHLPZNRFGQE-RNCFNFMXSA-N 1 2 315.269 5.252 20 0 DKADLO C[C@H]([NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl)c1nccs1 ZINC000080265157 331683810 /nfs/dbraw/zinc/68/38/10/331683810.db2.gz PSLWKJBRCUYPTF-YUMQZZPRSA-N 1 2 319.232 5.001 20 0 DKADLO C[C@@H]([NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl)c1nccs1 ZINC000080265162 331683853 /nfs/dbraw/zinc/68/38/53/331683853.db2.gz PSLWKJBRCUYPTF-HTQZYQBOSA-N 1 2 319.232 5.001 20 0 DKADLO CC[C@H]([NH2+][C@@H](C)c1nccs1)c1ccc(Cl)cc1Cl ZINC000080266650 341271748 /nfs/dbraw/zinc/27/17/48/341271748.db2.gz HUHNDZFTZXNUMT-ZANVPECISA-N 1 2 315.269 5.252 20 0 DKADLO CC[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccc(Cl)cc1Cl ZINC000080266653 341271638 /nfs/dbraw/zinc/27/16/38/341271638.db2.gz HUHNDZFTZXNUMT-TVQRCGJNSA-N 1 2 315.269 5.252 20 0 DKADLO Cc1csc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)n1 ZINC000080272166 341272042 /nfs/dbraw/zinc/27/20/42/341272042.db2.gz DTGRFYKKZNATGY-VHSXEESVSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1csc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)n1 ZINC000080272170 341271991 /nfs/dbraw/zinc/27/19/91/341271991.db2.gz DTGRFYKKZNATGY-UWVGGRQHSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1csc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2Cl)n1 ZINC000080272172 341272112 /nfs/dbraw/zinc/27/21/12/341272112.db2.gz DTGRFYKKZNATGY-NXEZZACHSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1csc([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2Cl)n1 ZINC000080272175 341272094 /nfs/dbraw/zinc/27/20/94/341272094.db2.gz DTGRFYKKZNATGY-ZJUUUORDSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1csc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000080272187 341271949 /nfs/dbraw/zinc/27/19/49/341271949.db2.gz MHLWXUYFLHLWTQ-VHSXEESVSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1csc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000080272191 341272106 /nfs/dbraw/zinc/27/21/06/341272106.db2.gz MHLWXUYFLHLWTQ-UWVGGRQHSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1csc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000080272194 341272121 /nfs/dbraw/zinc/27/21/21/341272121.db2.gz MHLWXUYFLHLWTQ-NXEZZACHSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1csc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000080272198 341272082 /nfs/dbraw/zinc/27/20/82/341272082.db2.gz MHLWXUYFLHLWTQ-ZJUUUORDSA-N 1 2 315.269 5.170 20 0 DKADLO CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1Cl)c1nccs1 ZINC000080285537 341272550 /nfs/dbraw/zinc/27/25/50/341272550.db2.gz OIBRHLPZNRFGQE-NOZJJQNGSA-N 1 2 315.269 5.252 20 0 DKADLO COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000089554847 518170085 /nfs/dbraw/zinc/17/00/85/518170085.db2.gz IYJWNYITLTVRGT-IERDGZPVSA-N 1 2 321.420 5.037 20 0 DKADLO COc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000089554849 341405485 /nfs/dbraw/zinc/40/54/85/341405485.db2.gz IYJWNYITLTVRGT-IIBYNOLFSA-N 1 2 321.420 5.037 20 0 DKADLO CC[C@H]([NH2+][C@@H](C)c1csc(C(C)C)n1)c1cc(F)ccc1F ZINC000090048641 341412843 /nfs/dbraw/zinc/41/28/43/341412843.db2.gz HIPPMEOYKOZVBY-NHYWBVRUSA-N 1 2 324.440 5.347 20 0 DKADLO CC(C)c1nc([C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)cs1 ZINC000090049074 332082357 /nfs/dbraw/zinc/08/23/57/332082357.db2.gz SYRXBRQQKUOYTQ-OLZOCXBDSA-N 1 2 314.454 5.425 20 0 DKADLO CC(C)c1nc([C@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)cs1 ZINC000090049076 332082344 /nfs/dbraw/zinc/08/23/44/332082344.db2.gz SYRXBRQQKUOYTQ-STQMWFEESA-N 1 2 314.454 5.425 20 0 DKADLO CC(C)c1nc([C@@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)cs1 ZINC000090049080 332082322 /nfs/dbraw/zinc/08/23/22/332082322.db2.gz SYRXBRQQKUOYTQ-CHWSQXEVSA-N 1 2 314.454 5.425 20 0 DKADLO CC[C@H]([NH2+][C@@H](C)c1csc(C(C)C)n1)c1ccc(F)cc1F ZINC000090049717 341412962 /nfs/dbraw/zinc/41/29/62/341412962.db2.gz QCSHLDGQNONJCE-NHYWBVRUSA-N 1 2 324.440 5.347 20 0 DKADLO COc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(C)cc1)c1ccco1 ZINC000090534601 341416729 /nfs/dbraw/zinc/41/67/29/341416729.db2.gz VVPMWRVYHKBOJA-IERDGZPVSA-N 1 2 321.420 5.037 20 0 DKADLO COc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1)c1ccco1 ZINC000090534608 341416846 /nfs/dbraw/zinc/41/68/46/341416846.db2.gz VVPMWRVYHKBOJA-HRAATJIYSA-N 1 2 321.420 5.037 20 0 DKADLO Cc1cccc(C([NH2+][C@H](C)c2nccs2)c2cccc(C)c2)c1 ZINC000091734552 341427953 /nfs/dbraw/zinc/42/79/53/341427953.db2.gz SAXNXIUOWTZEFY-MRXNPFEDSA-N 1 2 322.477 5.200 20 0 DKADLO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1csc(C(C)C)n1 ZINC000121017647 337884304 /nfs/dbraw/zinc/88/43/04/337884304.db2.gz IHBCFJNQKMMRNA-ZDUSSCGKSA-N 1 2 314.454 5.172 20 0 DKADLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000121627271 337896800 /nfs/dbraw/zinc/89/68/00/337896800.db2.gz WMGMKYBJRMIXLB-IIBYNOLFSA-N 1 2 321.420 5.037 20 0 DKADLO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000121627452 337896805 /nfs/dbraw/zinc/89/68/05/337896805.db2.gz WMGMKYBJRMIXLB-HRAATJIYSA-N 1 2 321.420 5.037 20 0 DKADLO CCOc1ccccc1[C@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000122127068 337908219 /nfs/dbraw/zinc/90/82/19/337908219.db2.gz DTVYWVKFOXXWOD-KKSFZXQISA-N 1 2 321.420 5.119 20 0 DKADLO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000122127230 337908367 /nfs/dbraw/zinc/90/83/67/337908367.db2.gz DTVYWVKFOXXWOD-IIBYNOLFSA-N 1 2 321.420 5.119 20 0 DKADLO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000123071764 337943222 /nfs/dbraw/zinc/94/32/22/337943222.db2.gz HITGUYUIUFKUDS-QFBILLFUSA-N 1 2 322.477 5.200 20 0 DKADLO CCc1ccc([C@@H](C)[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000123099349 337943890 /nfs/dbraw/zinc/94/38/90/337943890.db2.gz WDBIVDGSEUXFID-BEFAXECRSA-N 1 2 322.477 5.146 20 0 DKADLO CCc1ccc([C@@H](C)[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000123099792 337943861 /nfs/dbraw/zinc/94/38/61/337943861.db2.gz WDBIVDGSEUXFID-DNVCBOLYSA-N 1 2 322.477 5.146 20 0 DKADLO CCc1ccc([C@H](C)[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000123099981 337943850 /nfs/dbraw/zinc/94/38/50/337943850.db2.gz WDBIVDGSEUXFID-HNAYVOBHSA-N 1 2 322.477 5.146 20 0 DKADLO Cc1cccc([C@H](C)[NH2+][C@@H](c2nccs2)c2ccccc2)c1C ZINC000123124920 337947074 /nfs/dbraw/zinc/94/70/74/337947074.db2.gz GLYYWRGZNSVLAQ-QFBILLFUSA-N 1 2 322.477 5.200 20 0 DKADLO Cc1ccc([C@@H](C)[NH2+][C@@H](c2nccs2)c2ccccc2)cc1C ZINC000123181686 337953948 /nfs/dbraw/zinc/95/39/48/337953948.db2.gz LCPVDDSGFCNEQO-VQIMIIECSA-N 1 2 322.477 5.200 20 0 DKADLO Cc1ccc([C@@H](C)[NH2+][C@H](c2nccs2)c2ccccc2)c(C)c1 ZINC000123264208 337962912 /nfs/dbraw/zinc/96/29/12/337962912.db2.gz FFAYJYGJNMAPEZ-APWZRJJASA-N 1 2 322.477 5.200 20 0 DKADLO COc1ccccc1[C@H]([NH2+][C@H](C)c1cccc(C)c1)c1ccco1 ZINC000130733247 341039961 /nfs/dbraw/zinc/03/99/61/341039961.db2.gz YGENGTGMRGEUGW-IERDGZPVSA-N 1 2 321.420 5.037 20 0 DKADLO COc1ccccc1[C@H]([NH2+][C@@H](C)c1cccc(C)c1)c1ccco1 ZINC000130733439 341039944 /nfs/dbraw/zinc/03/99/44/341039944.db2.gz YGENGTGMRGEUGW-KKSFZXQISA-N 1 2 321.420 5.037 20 0 DKADLO COc1ccccc1[C@@H]([NH2+][C@H](C)c1cccc(C)c1)c1ccco1 ZINC000130733624 341039937 /nfs/dbraw/zinc/03/99/37/341039937.db2.gz YGENGTGMRGEUGW-IIBYNOLFSA-N 1 2 321.420 5.037 20 0 DKADLO COc1ccccc1[C@@H]([NH2+][C@@H](C)c1cccc(C)c1)c1ccco1 ZINC000130733806 341039893 /nfs/dbraw/zinc/03/98/93/341039893.db2.gz YGENGTGMRGEUGW-HRAATJIYSA-N 1 2 321.420 5.037 20 0 DKADLO COc1ccccc1[C@H]([NH2+][C@H](C)c1ccccc1C)c1ccco1 ZINC000130735639 341039896 /nfs/dbraw/zinc/03/98/96/341039896.db2.gz KLDMUIGINSGEAU-IERDGZPVSA-N 1 2 321.420 5.037 20 0 DKADLO COc1ccccc1[C@H]([NH2+][C@@H](C)c1ccccc1C)c1ccco1 ZINC000130735845 341039927 /nfs/dbraw/zinc/03/99/27/341039927.db2.gz KLDMUIGINSGEAU-KKSFZXQISA-N 1 2 321.420 5.037 20 0 DKADLO COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccccc1C)c1ccco1 ZINC000130736019 341039946 /nfs/dbraw/zinc/03/99/46/341039946.db2.gz KLDMUIGINSGEAU-IIBYNOLFSA-N 1 2 321.420 5.037 20 0 DKADLO COc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccccc1C)c1ccco1 ZINC000130736237 341039985 /nfs/dbraw/zinc/03/99/85/341039985.db2.gz KLDMUIGINSGEAU-HRAATJIYSA-N 1 2 321.420 5.037 20 0 DKADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000134901080 341226291 /nfs/dbraw/zinc/22/62/91/341226291.db2.gz MCOIPRJPENNTMG-VHSXEESVSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000134901103 341226289 /nfs/dbraw/zinc/22/62/89/341226289.db2.gz MCOIPRJPENNTMG-UWVGGRQHSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000134901125 341226212 /nfs/dbraw/zinc/22/62/12/341226212.db2.gz MCOIPRJPENNTMG-NXEZZACHSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000134901144 341226231 /nfs/dbraw/zinc/22/62/31/341226231.db2.gz MCOIPRJPENNTMG-ZJUUUORDSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)s1 ZINC000135169281 341232696 /nfs/dbraw/zinc/23/26/96/341232696.db2.gz KPFYCGYFDVOOSV-VHSXEESVSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)s1 ZINC000135169301 341232751 /nfs/dbraw/zinc/23/27/51/341232751.db2.gz KPFYCGYFDVOOSV-UWVGGRQHSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2Cl)s1 ZINC000135169322 341232683 /nfs/dbraw/zinc/23/26/83/341232683.db2.gz KPFYCGYFDVOOSV-NXEZZACHSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2Cl)s1 ZINC000135169343 341232666 /nfs/dbraw/zinc/23/26/66/341232666.db2.gz KPFYCGYFDVOOSV-ZJUUUORDSA-N 1 2 315.269 5.170 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1nc(C(C)(C)C)cs1 ZINC000153954034 341582181 /nfs/dbraw/zinc/58/21/81/341582181.db2.gz ARCAFODSNRGJEY-WDEREUQCSA-N 1 2 324.440 5.131 20 0 DKADLO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1nc(C(C)(C)C)cs1 ZINC000153954128 341582244 /nfs/dbraw/zinc/58/22/44/341582244.db2.gz ARCAFODSNRGJEY-GHMZBOCLSA-N 1 2 324.440 5.131 20 0 DKADLO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)c1nc(C(C)(C)C)cs1 ZINC000153965708 341582367 /nfs/dbraw/zinc/58/23/67/341582367.db2.gz HDQXSMQUMOVEND-GHMZBOCLSA-N 1 2 324.440 5.131 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1nc(C(C)(C)C)cs1 ZINC000154005196 341582905 /nfs/dbraw/zinc/58/29/05/341582905.db2.gz XISAUYDMFKAMRL-WDEREUQCSA-N 1 2 324.440 5.131 20 0 DKADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1nc(C(C)(C)C)cs1 ZINC000154005305 341582946 /nfs/dbraw/zinc/58/29/46/341582946.db2.gz XISAUYDMFKAMRL-GHMZBOCLSA-N 1 2 324.440 5.131 20 0 DKADLO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)o1 ZINC000154056598 341583865 /nfs/dbraw/zinc/58/38/65/341583865.db2.gz AWFTWSDEIJLSGW-RYUDHWBXSA-N 1 2 306.475 5.008 20 0 DKADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)o1 ZINC000158179698 525741756 /nfs/dbraw/zinc/74/17/56/525741756.db2.gz ASUGBHIAWOBPGY-KGLIPLIRSA-N 1 2 312.438 5.123 20 0 DKADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)o1 ZINC000158179848 525934398 /nfs/dbraw/zinc/93/43/98/525934398.db2.gz ASUGBHIAWOBPGY-KBPBESRZSA-N 1 2 312.438 5.123 20 0 DKADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)o1 ZINC000158179996 525745891 /nfs/dbraw/zinc/74/58/91/525745891.db2.gz ASUGBHIAWOBPGY-ZIAGYGMSSA-N 1 2 312.438 5.123 20 0 DKADLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)o1 ZINC000158180143 525944324 /nfs/dbraw/zinc/94/43/24/525944324.db2.gz ASUGBHIAWOBPGY-UONOGXRCSA-N 1 2 312.438 5.123 20 0 DKADLO CCC[C@H]([NH2+]Cc1nccs1)c1ccc(Cl)cc1Cl ZINC000159052021 331772433 /nfs/dbraw/zinc/77/24/33/331772433.db2.gz UNGIDDALRBFKCP-ZDUSSCGKSA-N 1 2 315.269 5.081 20 0 DKADLO CCC[C@@H]([NH2+]Cc1nccs1)c1ccc(Cl)cc1Cl ZINC000159052147 341667760 /nfs/dbraw/zinc/66/77/60/341667760.db2.gz UNGIDDALRBFKCP-CYBMUJFWSA-N 1 2 315.269 5.081 20 0 DKADLO C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)c1cc2ccccc2o1 ZINC000161864252 337598199 /nfs/dbraw/zinc/59/81/99/337598199.db2.gz XZWUAGNANLQTGV-LBPRGKRZSA-N 1 2 324.405 5.000 20 0 DKADLO C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)c1cc2ccccc2o1 ZINC000161864391 338195550 /nfs/dbraw/zinc/19/55/50/338195550.db2.gz XZWUAGNANLQTGV-GFCCVEGCSA-N 1 2 324.405 5.000 20 0 DKADLO CC[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1cccc(Cl)c1F ZINC000161897636 522671522 /nfs/dbraw/zinc/67/15/22/522671522.db2.gz VQFHBUHVSYHQQK-ZDUSSCGKSA-N 1 2 324.852 5.054 20 0 DKADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)cs1 ZINC000162312914 337614371 /nfs/dbraw/zinc/61/43/71/337614371.db2.gz NYXOQQXGUUSOIN-OLZOCXBDSA-N 1 2 314.454 5.172 20 0 DKADLO Cc1csc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)sc2Cl)n1 ZINC000162345933 331944302 /nfs/dbraw/zinc/94/43/02/331944302.db2.gz FYYHYXJMMVNCFB-JGVFFNPUSA-N 1 2 321.298 5.232 20 0 DKADLO Cc1csc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)sc2Cl)n1 ZINC000162346033 338600982 /nfs/dbraw/zinc/60/09/82/338600982.db2.gz FYYHYXJMMVNCFB-YUMQZZPRSA-N 1 2 321.298 5.232 20 0 DKADLO Cc1csc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)sc2Cl)n1 ZINC000162346158 338601025 /nfs/dbraw/zinc/60/10/25/338601025.db2.gz FYYHYXJMMVNCFB-HTQZYQBOSA-N 1 2 321.298 5.232 20 0 DKADLO Cc1csc([C@H](C)[NH2+][C@H](C)c2cc(Cl)sc2Cl)n1 ZINC000162346261 338601037 /nfs/dbraw/zinc/60/10/37/338601037.db2.gz FYYHYXJMMVNCFB-SFYZADRCSA-N 1 2 321.298 5.232 20 0 DKADLO CC(C)c1nc([C@@H](C)[NH2+][C@H](C)c2ccccc2Cl)cs1 ZINC000177354772 340439643 /nfs/dbraw/zinc/43/96/43/340439643.db2.gz XULNSZRWMZPUMT-VXGBXAGGSA-N 1 2 308.878 5.332 20 0 DKADLO CC(C)c1nc([C@H](C)[NH2+][C@H](C)c2ccccc2Cl)cs1 ZINC000177354785 340439626 /nfs/dbraw/zinc/43/96/26/340439626.db2.gz XULNSZRWMZPUMT-NEPJUHHUSA-N 1 2 308.878 5.332 20 0 DKADLO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)c2ncc(C(C)(C)C)o2)c1 ZINC000177448119 341920020 /nfs/dbraw/zinc/92/00/20/341920020.db2.gz NXAMMSWDKAWDSU-CABCVRRESA-N 1 2 300.446 5.001 20 0 DKADLO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)c2ncc(C(C)(C)C)o2)c1 ZINC000177448134 341920034 /nfs/dbraw/zinc/92/00/34/341920034.db2.gz NXAMMSWDKAWDSU-GJZGRUSLSA-N 1 2 300.446 5.001 20 0 DKADLO CC[C@H]([NH2+][C@H](C)c1ncc(C(C)(C)C)o1)c1cc(F)ccc1F ZINC000179796024 522744984 /nfs/dbraw/zinc/74/49/84/522744984.db2.gz LMOUQKCQKOZEIK-ABAIWWIYSA-N 1 2 322.399 5.052 20 0 DKADLO C[C@H]([NH2+]Cc1cc(-c2cccs2)on1)c1cc2ccccc2o1 ZINC000181768766 333079636 /nfs/dbraw/zinc/07/96/36/333079636.db2.gz JWMYHQDKHZYRPZ-LBPRGKRZSA-N 1 2 324.405 5.000 20 0 DKADLO C[C@@H]([NH2+]Cc1cc(-c2cccs2)on1)c1cc2ccccc2o1 ZINC000181768788 333032098 /nfs/dbraw/zinc/03/20/98/333032098.db2.gz JWMYHQDKHZYRPZ-GFCCVEGCSA-N 1 2 324.405 5.000 20 0 DKADLO CCCCc1nc(C[NH2+][C@@H](C)c2cc3ccccc3o2)cs1 ZINC000182625074 336276575 /nfs/dbraw/zinc/27/65/75/336276575.db2.gz QEXDSXOEXLWWPU-ZDUSSCGKSA-N 1 2 314.454 5.083 20 0 DKADLO CCCCc1nc(C[NH2+][C@H](C)c2cc3ccccc3o2)cs1 ZINC000182625094 333043605 /nfs/dbraw/zinc/04/36/05/333043605.db2.gz QEXDSXOEXLWWPU-CYBMUJFWSA-N 1 2 314.454 5.083 20 0 DKADLO C[C@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1cc2ccccc2o1 ZINC000182638777 336277591 /nfs/dbraw/zinc/27/75/91/336277591.db2.gz HBHJICCVHMMLFC-LBPRGKRZSA-N 1 2 324.405 5.000 20 0 DKADLO C[C@@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1cc2ccccc2o1 ZINC000182638801 333043610 /nfs/dbraw/zinc/04/36/10/333043610.db2.gz HBHJICCVHMMLFC-GFCCVEGCSA-N 1 2 324.405 5.000 20 0 DKADLO C[C@H]([NH2+][C@@H](C)c1ncc(C(C)(C)C)o1)c1cc2ccccc2o1 ZINC000182639079 525537065 /nfs/dbraw/zinc/53/70/65/525537065.db2.gz PARWNQWCRVWWSI-STQMWFEESA-N 1 2 312.413 5.130 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1ncc(C(C)(C)C)o1)c1cc2ccccc2o1 ZINC000182639097 525621680 /nfs/dbraw/zinc/62/16/80/525621680.db2.gz PARWNQWCRVWWSI-OLZOCXBDSA-N 1 2 312.413 5.130 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)c1ncc(C(C)(C)C)o1 ZINC000182639115 525604590 /nfs/dbraw/zinc/60/45/90/525604590.db2.gz PARWNQWCRVWWSI-QWHCGFSZSA-N 1 2 312.413 5.130 20 0 DKADLO C[C@@H]([NH2+][C@H](C)c1ncc(C(C)(C)C)o1)c1cc2ccccc2o1 ZINC000182639132 525664517 /nfs/dbraw/zinc/66/45/17/525664517.db2.gz PARWNQWCRVWWSI-CHWSQXEVSA-N 1 2 312.413 5.130 20 0 DKADLO C[C@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1cc2ccccc2o1 ZINC000182641966 336277635 /nfs/dbraw/zinc/27/76/35/336277635.db2.gz GVHABXBUNWYLPE-LBPRGKRZSA-N 1 2 324.405 5.000 20 0 DKADLO C[C@@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1cc2ccccc2o1 ZINC000182642120 333043744 /nfs/dbraw/zinc/04/37/44/333043744.db2.gz GVHABXBUNWYLPE-GFCCVEGCSA-N 1 2 324.405 5.000 20 0 DKADLO CCCc1nc(C[NH2+][C@H](C)c2oc3ccccc3c2C)cs1 ZINC000183558368 340488225 /nfs/dbraw/zinc/48/82/25/340488225.db2.gz WNCUWWCYOISUGN-CYBMUJFWSA-N 1 2 314.454 5.001 20 0 DKADLO FC(F)c1ccc(C[NH+](Cc2ccco2)Cc2ccco2)cc1 ZINC000183918557 340489897 /nfs/dbraw/zinc/48/98/97/340489897.db2.gz GRNWOTCOEUZROB-UHFFFAOYSA-N 1 2 317.335 5.013 20 0 DKADLO C[C@H]([NH2+]Cc1sccc1Cl)c1nc(C(C)(C)C)cs1 ZINC000193093534 334917875 /nfs/dbraw/zinc/91/78/75/334917875.db2.gz XWDDRQLZDIHXDX-VIFPVBQESA-N 1 2 314.907 5.006 20 0 DKADLO C[C@@H]([NH2+]Cc1ccccc1F)c1cc(Cl)sc1Cl ZINC000221738325 333365056 /nfs/dbraw/zinc/36/50/56/333365056.db2.gz QCCMQFBXWSFMFB-MRVPVSSYSA-N 1 2 304.217 5.045 20 0 DKADLO C[C@H]([NH2+]Cc1ccccc1F)c1cc(Cl)sc1Cl ZINC000221738373 333365139 /nfs/dbraw/zinc/36/51/39/333365139.db2.gz QCCMQFBXWSFMFB-QMMMGPOBSA-N 1 2 304.217 5.045 20 0 DKADLO C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1cc(Cl)sc1Cl ZINC000222920665 340542204 /nfs/dbraw/zinc/54/22/04/340542204.db2.gz DRSOYDGUYZBMLS-SSDOTTSWSA-N 1 2 322.207 5.184 20 0 DKADLO C[C@@H]([NH2+]Cc1cc(F)ccc1F)c1cc(Cl)sc1Cl ZINC000223245131 340544416 /nfs/dbraw/zinc/54/44/16/340544416.db2.gz YGOAVFIUKLPFDV-SSDOTTSWSA-N 1 2 322.207 5.184 20 0 DKADLO CC[C@@H]([NH2+][C@@H](C)c1ncc(C)o1)c1ccc(Cl)cc1Cl ZINC000231739863 340625611 /nfs/dbraw/zinc/62/56/11/340625611.db2.gz DIITXMPLRCUYPX-IINYFYTJSA-N 1 2 313.228 5.092 20 0 DKADLO CC[C@@H]([NH2+][C@H](C)c1ncc(C)o1)c1ccc(Cl)cc1Cl ZINC000231739869 340625555 /nfs/dbraw/zinc/62/55/55/340625555.db2.gz DIITXMPLRCUYPX-QMTHXVAHSA-N 1 2 313.228 5.092 20 0 DKADLO CC[C@H]([NH2+][C@H](C)c1ncc(C)o1)c1ccc(Cl)cc1Cl ZINC000231739872 340625550 /nfs/dbraw/zinc/62/55/50/340625550.db2.gz DIITXMPLRCUYPX-YGRLFVJLSA-N 1 2 313.228 5.092 20 0 DKADLO CCC(CC)c1cc(C[NH2+]Cc2ccc(-c3ccccc3)o2)on1 ZINC000236730155 341197239 /nfs/dbraw/zinc/19/72/39/341197239.db2.gz PQZMLRMCKXQWGJ-UHFFFAOYSA-N 1 2 324.424 5.128 20 0 DKADLO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1c(F)cccc1Cl ZINC000237566364 341215830 /nfs/dbraw/zinc/21/58/30/341215830.db2.gz AWBLJDWKEVUHAL-GVXVVHGQSA-N 1 2 307.796 5.046 20 0 DKADLO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1c(F)cccc1Cl ZINC000237661989 341217718 /nfs/dbraw/zinc/21/77/18/341217718.db2.gz AWBLJDWKEVUHAL-GMXVVIOVSA-N 1 2 307.796 5.046 20 0 DKADLO Cc1ccc(C[NH2+][C@H](c2cc3ccccc3o2)c2ccccc2)o1 ZINC000237883358 341222544 /nfs/dbraw/zinc/22/25/44/341222544.db2.gz OVFMMOZJICAIHM-NRFANRHFSA-N 1 2 317.388 5.213 20 0 DKADLO Cc1ccc(C[NH2+][C@@H](c2cc3ccccc3o2)c2ccccc2)o1 ZINC000237883855 341222507 /nfs/dbraw/zinc/22/25/07/341222507.db2.gz OVFMMOZJICAIHM-OAQYLSRUSA-N 1 2 317.388 5.213 20 0 DKADLO Cc1cc([C@H](C)[NH2+][C@H](c2cccc(C)c2)c2ccccn2)c(C)o1 ZINC000278372979 130686291 /nfs/dbraw/zinc/68/62/91/130686291.db2.gz CJDFODGHHDMESC-HRAATJIYSA-N 1 2 320.436 5.040 20 0 DKADLO Cc1cc([C@H](C)[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)c(C)o1 ZINC000280267452 130794077 /nfs/dbraw/zinc/79/40/77/130794077.db2.gz XQAJGRJUYISYDP-HRAATJIYSA-N 1 2 320.436 5.040 20 0 DKADLO Cc1cc([C@@H](C)[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)oc1C ZINC000282904360 130945185 /nfs/dbraw/zinc/94/51/85/130945185.db2.gz WYIFZUQUCPHQBE-IIBYNOLFSA-N 1 2 320.436 5.040 20 0 DKADLO Cc1cc([C@H](C)[NH2+]C(c2ccccc2C)c2ccccc2C)no1 ZINC000285248861 131150820 /nfs/dbraw/zinc/15/08/20/131150820.db2.gz PWYRNZLVPRVDGV-KRWDZBQOSA-N 1 2 320.436 5.040 20 0 DKADLO Cc1cc([C@@H](C)[NH2+]C(c2ccccc2C)c2ccccc2C)no1 ZINC000285248866 131150771 /nfs/dbraw/zinc/15/07/71/131150771.db2.gz PWYRNZLVPRVDGV-QGZVFWFLSA-N 1 2 320.436 5.040 20 0 DKADLO C[C@@H]1C[C@H]([NH2+][C@H](c2nccs2)c2ccccc2)c2ccccc21 ZINC000289151390 131362219 /nfs/dbraw/zinc/36/22/19/131362219.db2.gz GIJLQXKYPKDYLW-CCKFTAQKSA-N 1 2 320.461 5.071 20 0 DKADLO C[C@@H]1C[C@H]([NH2+][C@@H](c2nccs2)c2ccccc2)c2ccccc21 ZINC000289151396 131362416 /nfs/dbraw/zinc/36/24/16/131362416.db2.gz GIJLQXKYPKDYLW-MDASCCDHSA-N 1 2 320.461 5.071 20 0 DKADLO C[C@@H]1C[C@@H]([NH2+][C@@H](c2nccs2)c2ccccc2)c2ccccc21 ZINC000289151403 131362077 /nfs/dbraw/zinc/36/20/77/131362077.db2.gz GIJLQXKYPKDYLW-NIKGAXFTSA-N 1 2 320.461 5.071 20 0 DKADLO C[C@@H]1C[C@@H]([NH2+][C@H](c2nccs2)c2ccccc2)c2ccccc21 ZINC000289151410 131362619 /nfs/dbraw/zinc/36/26/19/131362619.db2.gz GIJLQXKYPKDYLW-ZMYBRWDISA-N 1 2 320.461 5.071 20 0 DKADLO C[C@@H](Nc1ccc2ccccc2[nH+]1)c1nc(C(C)(C)C)cs1 ZINC000301202709 336294648 /nfs/dbraw/zinc/29/46/48/336294648.db2.gz QZYAGGMZOHQLJT-GFCCVEGCSA-N 1 2 311.454 5.162 20 0 DKADLO C[C@H](Nc1ccc2ccccc2[nH+]1)c1nc(C(C)(C)C)cs1 ZINC000301202712 336294637 /nfs/dbraw/zinc/29/46/37/336294637.db2.gz QZYAGGMZOHQLJT-LBPRGKRZSA-N 1 2 311.454 5.162 20 0 DKADLO CC[C@@H](Nc1cc(C(C)C)[nH+]c(C(C)C)n1)c1nc(C)cs1 ZINC000301861135 336334765 /nfs/dbraw/zinc/33/47/65/336334765.db2.gz KUQWYFHNSWZYRU-CYBMUJFWSA-N 1 2 318.490 5.052 20 0 DKADLO CC[C@H](Nc1cc(C(C)C)[nH+]c(C(C)C)n1)c1nc(C)cs1 ZINC000301861136 336334857 /nfs/dbraw/zinc/33/48/57/336334857.db2.gz KUQWYFHNSWZYRU-ZDUSSCGKSA-N 1 2 318.490 5.052 20 0 DKADLO CC(C)(C)CCCC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000303422930 340325139 /nfs/dbraw/zinc/32/51/39/340325139.db2.gz BBMJNCYQTHLRQK-UHFFFAOYSA-N 1 2 312.413 5.029 20 0 DKADLO C[C@@H]([NH2+]Cc1cc(Cl)sc1Cl)c1ccccc1F ZINC000312592573 332658094 /nfs/dbraw/zinc/65/80/94/332658094.db2.gz ZQAAEMWDBIQVGM-MRVPVSSYSA-N 1 2 304.217 5.045 20 0 DKADLO C[C@H]([NH2+]Cc1cc(Cl)sc1Cl)c1ccccc1F ZINC000312592574 332658106 /nfs/dbraw/zinc/65/81/06/332658106.db2.gz ZQAAEMWDBIQVGM-QMMMGPOBSA-N 1 2 304.217 5.045 20 0 DKADLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc(Cl)sc2Cl)o1 ZINC000312756434 341628532 /nfs/dbraw/zinc/62/85/32/341628532.db2.gz IAWCGKLIPHVCQR-GZMMTYOYSA-N 1 2 316.253 5.061 20 0 DKADLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc(Cl)sc2Cl)o1 ZINC000312756437 341628494 /nfs/dbraw/zinc/62/84/94/341628494.db2.gz IAWCGKLIPHVCQR-KCJUWKMLSA-N 1 2 316.253 5.061 20 0 DKADLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc(Cl)sc2Cl)o1 ZINC000312756440 341628557 /nfs/dbraw/zinc/62/85/57/341628557.db2.gz IAWCGKLIPHVCQR-KWQFWETISA-N 1 2 316.253 5.061 20 0 DKADLO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccccc1Cl ZINC000314183521 333092304 /nfs/dbraw/zinc/09/23/04/333092304.db2.gz MWWJJEOBMUOGTH-AUUYWEPGSA-N 1 2 311.812 5.373 20 0 DKADLO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccccc1Cl ZINC000314183525 333092333 /nfs/dbraw/zinc/09/23/33/333092333.db2.gz MWWJJEOBMUOGTH-IFXJQAMLSA-N 1 2 311.812 5.373 20 0 DKADLO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccccc1Cl ZINC000314183530 333092327 /nfs/dbraw/zinc/09/23/27/333092327.db2.gz MWWJJEOBMUOGTH-KUHUBIRLSA-N 1 2 311.812 5.373 20 0 DKADLO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccccc1Cl ZINC000314183534 333092347 /nfs/dbraw/zinc/09/23/47/333092347.db2.gz MWWJJEOBMUOGTH-LIRRHRJNSA-N 1 2 311.812 5.373 20 0 DKADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)c1ccc(F)cc1F ZINC000314347529 333104290 /nfs/dbraw/zinc/10/42/90/333104290.db2.gz BFIWXWOCUMBJPH-NXEZZACHSA-N 1 2 313.750 5.169 20 0 DKADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1ccc(F)cc1F ZINC000314347531 333104307 /nfs/dbraw/zinc/10/43/07/333104307.db2.gz BFIWXWOCUMBJPH-UWVGGRQHSA-N 1 2 313.750 5.169 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1c(F)cccc1Cl ZINC000314347533 333104216 /nfs/dbraw/zinc/10/42/16/333104216.db2.gz BFIWXWOCUMBJPH-VHSXEESVSA-N 1 2 313.750 5.169 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1ccc(F)cc1F ZINC000314347534 333104210 /nfs/dbraw/zinc/10/42/10/333104210.db2.gz BFIWXWOCUMBJPH-ZJUUUORDSA-N 1 2 313.750 5.169 20 0 DKADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)c1cc(F)ccc1F ZINC000315180193 337981772 /nfs/dbraw/zinc/98/17/72/337981772.db2.gz UBIJYHRJMULGLL-NXEZZACHSA-N 1 2 313.750 5.169 20 0 DKADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1cc(F)ccc1F ZINC000315180194 337981744 /nfs/dbraw/zinc/98/17/44/337981744.db2.gz UBIJYHRJMULGLL-UWVGGRQHSA-N 1 2 313.750 5.169 20 0 DKADLO C[C@H]([NH2+][C@H](c1ccccc1)c1ccccn1)c1ccccc1Cl ZINC000320115731 333425927 /nfs/dbraw/zinc/42/59/27/333425927.db2.gz CUNYHURILIPWIC-MGPUTAFESA-N 1 2 322.839 5.175 20 0 DKADLO C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)c1ccccc1Cl ZINC000320115744 333425824 /nfs/dbraw/zinc/42/58/24/333425824.db2.gz CUNYHURILIPWIC-QRWLVFNGSA-N 1 2 322.839 5.175 20 0 DKADLO CC[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccccc1F ZINC000321997889 337309294 /nfs/dbraw/zinc/30/92/94/337309294.db2.gz LUKQXKHTYFQYNF-AZUAARDMSA-N 1 2 309.384 5.249 20 0 DKADLO CC[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccccc1F ZINC000321997890 337309286 /nfs/dbraw/zinc/30/92/86/337309286.db2.gz LUKQXKHTYFQYNF-ICSRJNTNSA-N 1 2 309.384 5.249 20 0 DKADLO CC[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccccc1F ZINC000321997891 337309289 /nfs/dbraw/zinc/30/92/89/337309289.db2.gz LUKQXKHTYFQYNF-QUCCMNQESA-N 1 2 309.384 5.249 20 0 DKADLO CC[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccccc1F ZINC000321997892 337309302 /nfs/dbraw/zinc/30/93/02/337309302.db2.gz LUKQXKHTYFQYNF-UYAOXDASSA-N 1 2 309.384 5.249 20 0 DKADLO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000324346619 341706860 /nfs/dbraw/zinc/70/68/60/341706860.db2.gz DLKQKVKAGAQCPB-HRAATJIYSA-N 1 2 321.420 5.037 20 0 DKADLO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1cc2ccccc2o1 ZINC000324863074 336267132 /nfs/dbraw/zinc/26/71/32/336267132.db2.gz OHFRFESSUGCKRL-BTYIYWSLSA-N 1 2 317.388 5.466 20 0 DKADLO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1cc2ccccc2o1 ZINC000324863077 336267106 /nfs/dbraw/zinc/26/71/06/336267106.db2.gz OHFRFESSUGCKRL-QVKFZJNVSA-N 1 2 317.388 5.466 20 0 DKADLO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1cc2ccccc2o1 ZINC000324863080 336267031 /nfs/dbraw/zinc/26/70/31/336267031.db2.gz OHFRFESSUGCKRL-VFNWGFHPSA-N 1 2 317.388 5.466 20 0 DKADLO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1cc2ccccc2o1 ZINC000324863084 336267097 /nfs/dbraw/zinc/26/70/97/336267097.db2.gz OHFRFESSUGCKRL-YCRPNKLZSA-N 1 2 317.388 5.466 20 0 DKADLO Cc1nc(-c2cc([C@@H](C)Nc3ccc(C)[nH+]c3)cs2)cs1 ZINC000347138374 335472797 /nfs/dbraw/zinc/47/27/97/335472797.db2.gz XQLZKRPTPHKYIA-LLVKDONJSA-N 1 2 315.467 5.057 20 0 DKADLO Cc1nc(-c2cc([C@H](C)Nc3ccc(C)[nH+]c3)cs2)cs1 ZINC000347138375 335472635 /nfs/dbraw/zinc/47/26/35/335472635.db2.gz XQLZKRPTPHKYIA-NSHDSACASA-N 1 2 315.467 5.057 20 0 DKADLO CC[C@@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)c1ccccc1F ZINC000376168433 337028706 /nfs/dbraw/zinc/02/87/06/337028706.db2.gz WPMWHPRHMGEMIA-CTNGQTDRSA-N 1 2 320.411 5.051 20 0 DKADLO CC[C@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)c1ccccc1F ZINC000376168439 337028759 /nfs/dbraw/zinc/02/87/59/337028759.db2.gz WPMWHPRHMGEMIA-FPOVZHCZSA-N 1 2 320.411 5.051 20 0 DKADLO CC[C@H]([NH2+][C@H](c1ccccc1)c1ccccn1)c1ccccc1F ZINC000376168440 337028687 /nfs/dbraw/zinc/02/86/87/337028687.db2.gz WPMWHPRHMGEMIA-PZJWPPBQSA-N 1 2 320.411 5.051 20 0 DKADLO CC[C@@H]([NH2+][C@H](c1ccccc1)c1ccccn1)c1ccccc1F ZINC000376168442 337028804 /nfs/dbraw/zinc/02/88/04/337028804.db2.gz WPMWHPRHMGEMIA-TZIWHRDSSA-N 1 2 320.411 5.051 20 0 DKADLO CC(C)n1c[nH+]cc1CNc1ccccc1SC1CCCC1 ZINC000387715780 333164107 /nfs/dbraw/zinc/16/41/07/333164107.db2.gz KUINCUNKWGBLKT-UHFFFAOYSA-N 1 2 315.486 5.111 20 0 DKADLO Cc1cc(N2CCCC2)ccc1[NH2+][C@@H](C)CCCC(F)(F)F ZINC000388295825 333256026 /nfs/dbraw/zinc/25/60/26/333256026.db2.gz AKDMXPNMNYWYGR-AWEZNQCLSA-N 1 2 314.395 5.128 20 0 DKADLO Cc1cc(N2CCCC2)ccc1[NH2+][C@H](C)CCCC(F)(F)F ZINC000388295826 333256018 /nfs/dbraw/zinc/25/60/18/333256018.db2.gz AKDMXPNMNYWYGR-CQSZACIVSA-N 1 2 314.395 5.128 20 0 DKADLO Fc1cccc(Cl)c1C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000409622023 332042146 /nfs/dbraw/zinc/04/21/46/332042146.db2.gz BIVXIKHZBPEQEH-UHFFFAOYSA-N 1 2 318.606 5.076 20 0 DKADLO CSc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ncc(C(C)(C)C)o1 ZINC000409870052 332061875 /nfs/dbraw/zinc/06/18/75/332061875.db2.gz LZWUNFKUHUMVLV-CHWSQXEVSA-N 1 2 318.486 5.106 20 0 DKADLO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000409870053 332061941 /nfs/dbraw/zinc/06/19/41/332061941.db2.gz LZWUNFKUHUMVLV-OLZOCXBDSA-N 1 2 318.486 5.106 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1ncc(C(C)(C)C)o1)c1ccc(C2CC2)cc1 ZINC000419363380 337481027 /nfs/dbraw/zinc/48/10/27/337481027.db2.gz VXWRNYFISRLSQS-KGLIPLIRSA-N 1 2 312.457 5.261 20 0 DKADLO Cc1[nH+]c(C(C)C)ccc1CS[C@@H](C)c1nc(C(C)C)no1 ZINC000419388538 337481617 /nfs/dbraw/zinc/48/16/17/337481617.db2.gz SAXQLFVITFBOHF-ZDUSSCGKSA-N 1 2 319.474 5.014 20 0 DKADLO CC(C)c1nc([C@H](C)[NH2+][C@H](CC(F)F)c2ccccc2)cs1 ZINC000421889980 337655423 /nfs/dbraw/zinc/65/54/23/337655423.db2.gz XPWHRIMXNFGMRR-GXTWGEPZSA-N 1 2 324.440 5.314 20 0 DKADLO CC(C)c1nc([C@@H](C)[NH2+][C@@H](CC(F)F)c2ccccc2)cs1 ZINC000421889986 337655345 /nfs/dbraw/zinc/65/53/45/337655345.db2.gz XPWHRIMXNFGMRR-OCCSQVGLSA-N 1 2 324.440 5.314 20 0 DKADLO Cc1c2cc(C)c(C)cc2sc1C(=O)Nc1c(C)cc[nH+]c1C ZINC000425596895 337134379 /nfs/dbraw/zinc/13/43/79/337134379.db2.gz QAFMYSWEMWEXPY-UHFFFAOYSA-N 1 2 324.449 5.091 20 0 DKADLO CC(C)c1nc([C@@H](C)[NH2+]Cc2ccc(C3CC3)cc2F)cs1 ZINC000425957295 334864746 /nfs/dbraw/zinc/86/47/46/334864746.db2.gz HXMHNBMTQQZRQF-GFCCVEGCSA-N 1 2 318.461 5.134 20 0 DKADLO CC(C)c1nc([C@H](C)[NH2+]Cc2ccc(C3CC3)cc2F)cs1 ZINC000425957296 334864759 /nfs/dbraw/zinc/86/47/59/334864759.db2.gz HXMHNBMTQQZRQF-LBPRGKRZSA-N 1 2 318.461 5.134 20 0 DKADLO CCc1nc([C@@H](C)[NH2+][C@H](C)c2cc3ccc(C)cc3o2)cs1 ZINC000426056963 335093872 /nfs/dbraw/zinc/09/38/72/335093872.db2.gz DUHJUHIJSSVVPX-CHWSQXEVSA-N 1 2 314.454 5.172 20 0 DKADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)cs1 ZINC000426056964 335093859 /nfs/dbraw/zinc/09/38/59/335093859.db2.gz DUHJUHIJSSVVPX-OLZOCXBDSA-N 1 2 314.454 5.172 20 0 DKADLO CCc1nc([C@H](C)[NH2+][C@H](C)c2cc3ccc(C)cc3o2)cs1 ZINC000426056965 335093951 /nfs/dbraw/zinc/09/39/51/335093951.db2.gz DUHJUHIJSSVVPX-QWHCGFSZSA-N 1 2 314.454 5.172 20 0 DKADLO CCc1nc([C@H](C)[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)cs1 ZINC000426056966 335094101 /nfs/dbraw/zinc/09/41/01/335094101.db2.gz DUHJUHIJSSVVPX-STQMWFEESA-N 1 2 314.454 5.172 20 0 DKADLO C[C@@H]([NH2+]Cc1csc(Cl)c1Cl)c1c(F)cccc1F ZINC000432235079 338149406 /nfs/dbraw/zinc/14/94/06/338149406.db2.gz GBUDLZURELELPZ-SSDOTTSWSA-N 1 2 322.207 5.184 20 0 DKADLO C[C@H]([NH2+]Cc1csc(Cl)c1Cl)c1c(F)cccc1F ZINC000432235080 338149415 /nfs/dbraw/zinc/14/94/15/338149415.db2.gz GBUDLZURELELPZ-ZETCQYMHSA-N 1 2 322.207 5.184 20 0 DKADLO CC[C@@H]([NH2+]Cc1csc(Cl)c1Cl)c1nc(C)cs1 ZINC000432235989 338149654 /nfs/dbraw/zinc/14/96/54/338149654.db2.gz ONFOLPAZQCVXNQ-SECBINFHSA-N 1 2 321.298 5.061 20 0 DKADLO CC[C@H]([NH2+]Cc1csc(Cl)c1Cl)c1nc(C)cs1 ZINC000432235990 338149619 /nfs/dbraw/zinc/14/96/19/338149619.db2.gz ONFOLPAZQCVXNQ-VIFPVBQESA-N 1 2 321.298 5.061 20 0 DKADLO C[C@@H]([NH2+]Cc1csc(Cl)c1Cl)c1ccc(F)cc1F ZINC000432238015 338149814 /nfs/dbraw/zinc/14/98/14/338149814.db2.gz MCTPHBOAIVMNFS-SSDOTTSWSA-N 1 2 322.207 5.184 20 0 DKADLO C[C@H]([NH2+]Cc1csc(Cl)c1Cl)c1ccc(F)cc1F ZINC000432238016 338149796 /nfs/dbraw/zinc/14/97/96/338149796.db2.gz MCTPHBOAIVMNFS-ZETCQYMHSA-N 1 2 322.207 5.184 20 0 DKADLO C[C@@H]([NH2+]Cc1csc(Cl)c1Cl)c1cccc(F)c1F ZINC000432260217 338151771 /nfs/dbraw/zinc/15/17/71/338151771.db2.gz WOCUUNFCVKISNO-SSDOTTSWSA-N 1 2 322.207 5.184 20 0 DKADLO C[C@H]([NH2+]Cc1csc(Cl)c1Cl)c1cccc(F)c1F ZINC000432260218 338151707 /nfs/dbraw/zinc/15/17/07/338151707.db2.gz WOCUUNFCVKISNO-ZETCQYMHSA-N 1 2 322.207 5.184 20 0 DKADLO Cc1ccc(CNc2ccc(C(C)(C)C(F)(F)F)cc2)c(C)[nH+]1 ZINC000432337316 338153460 /nfs/dbraw/zinc/15/34/60/338153460.db2.gz SPPGVPVNJWBMRB-UHFFFAOYSA-N 1 2 322.374 5.150 20 0 DKADLO CC(C)(C)C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C(F)(F)F ZINC000437788702 338321548 /nfs/dbraw/zinc/32/15/48/338321548.db2.gz UMLASTQEONSOTC-AXFHLTTASA-N 1 2 319.333 5.064 20 0 DKADLO CC(C)(C)C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C(F)(F)F ZINC000437788703 338321599 /nfs/dbraw/zinc/32/15/99/338321599.db2.gz UMLASTQEONSOTC-DCAQKATOSA-N 1 2 319.333 5.064 20 0 DKADLO CC(C)(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C(F)(F)F ZINC000437788704 338321584 /nfs/dbraw/zinc/32/15/84/338321584.db2.gz UMLASTQEONSOTC-MXWKQRLJSA-N 1 2 319.333 5.064 20 0 DKADLO CC(C)(C)C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C(F)(F)F ZINC000437788705 334074593 /nfs/dbraw/zinc/07/45/93/334074593.db2.gz UMLASTQEONSOTC-VWYCJHECSA-N 1 2 319.333 5.064 20 0 DKADLO CSc1ccccc1[C@H](C)[NH2+][C@H](C)c1ncc(C(C)(C)C)o1 ZINC000440624543 338392943 /nfs/dbraw/zinc/39/29/43/338392943.db2.gz LZWUNFKUHUMVLV-QWHCGFSZSA-N 1 2 318.486 5.106 20 0 DKADLO CSc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000440624545 338392912 /nfs/dbraw/zinc/39/29/12/338392912.db2.gz LZWUNFKUHUMVLV-STQMWFEESA-N 1 2 318.486 5.106 20 0 DKADLO C[C@H](c1ccco1)[N@@H+](Cc1csc(C2CCCC2)n1)C1CC1 ZINC000440906141 338399541 /nfs/dbraw/zinc/39/95/41/338399541.db2.gz GMYUXQDXEBHSOH-CYBMUJFWSA-N 1 2 316.470 5.119 20 0 DKADLO C[C@H](c1ccco1)[N@H+](Cc1csc(C2CCCC2)n1)C1CC1 ZINC000440906141 338399540 /nfs/dbraw/zinc/39/95/40/338399540.db2.gz GMYUXQDXEBHSOH-CYBMUJFWSA-N 1 2 316.470 5.119 20 0 DKADLO C[C@@H](c1ccco1)[N@@H+](Cc1csc(C2CCCC2)n1)C1CC1 ZINC000440906142 338399665 /nfs/dbraw/zinc/39/96/65/338399665.db2.gz GMYUXQDXEBHSOH-ZDUSSCGKSA-N 1 2 316.470 5.119 20 0 DKADLO C[C@@H](c1ccco1)[N@H+](Cc1csc(C2CCCC2)n1)C1CC1 ZINC000440906142 338399664 /nfs/dbraw/zinc/39/96/64/338399664.db2.gz GMYUXQDXEBHSOH-ZDUSSCGKSA-N 1 2 316.470 5.119 20 0 DKADLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1Cc2ccccc2C1 ZINC000443609721 338456547 /nfs/dbraw/zinc/45/65/47/338456547.db2.gz MPUAODCSGNFZAW-CYBMUJFWSA-N 1 2 324.811 5.072 20 0 DKADLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1Cc2ccccc2C1 ZINC000443609724 518178972 /nfs/dbraw/zinc/17/89/72/518178972.db2.gz MPUAODCSGNFZAW-ZDUSSCGKSA-N 1 2 324.811 5.072 20 0 DKADLO CC[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)Cc1cscn1 ZINC000445221705 332356543 /nfs/dbraw/zinc/35/65/43/332356543.db2.gz PPWXMJNLNXQDDL-AWEZNQCLSA-N 1 2 315.269 5.033 20 0 DKADLO CC[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)Cc1cscn1 ZINC000445221705 332356541 /nfs/dbraw/zinc/35/65/41/332356541.db2.gz PPWXMJNLNXQDDL-AWEZNQCLSA-N 1 2 315.269 5.033 20 0 DKADLO CC[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)Cc1cscn1 ZINC000445221715 332356562 /nfs/dbraw/zinc/35/65/62/332356562.db2.gz PPWXMJNLNXQDDL-CQSZACIVSA-N 1 2 315.269 5.033 20 0 DKADLO CC[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)Cc1cscn1 ZINC000445221715 332356560 /nfs/dbraw/zinc/35/65/60/332356560.db2.gz PPWXMJNLNXQDDL-CQSZACIVSA-N 1 2 315.269 5.033 20 0 DKADLO C[C@@H]([NH2+]C1(c2c(Cl)cccc2Cl)CCC1)c1ccco1 ZINC000447582498 338559113 /nfs/dbraw/zinc/55/91/13/338559113.db2.gz WQZLGJFTSAJSFX-LLVKDONJSA-N 1 2 310.224 5.316 20 0 DKADLO C[C@H]([NH2+][C@@H](C)c1cccc(C2CC2)c1)c1ncc(C(C)(C)C)o1 ZINC000451110736 338721569 /nfs/dbraw/zinc/72/15/69/338721569.db2.gz GBMLDURCNYAFFB-KBPBESRZSA-N 1 2 312.457 5.261 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1cccc(C2CC2)c1)c1ncc(C(C)(C)C)o1 ZINC000451110750 338721561 /nfs/dbraw/zinc/72/15/61/338721561.db2.gz GBMLDURCNYAFFB-UONOGXRCSA-N 1 2 312.457 5.261 20 0 DKADLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(SC2CCCC2)cc1 ZINC000453159875 338801045 /nfs/dbraw/zinc/80/10/45/338801045.db2.gz CUTNKCXGFXOORP-AWEZNQCLSA-N 1 2 315.486 5.111 20 0 DKADLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(SC2CCCC2)cc1 ZINC000453159876 338801042 /nfs/dbraw/zinc/80/10/42/338801042.db2.gz CUTNKCXGFXOORP-CQSZACIVSA-N 1 2 315.486 5.111 20 0 DKADLO CCn1cc[nH+]c1[C@H](C)Nc1cccc(CSC(C)C)c1C ZINC000453160174 338801032 /nfs/dbraw/zinc/80/10/32/338801032.db2.gz AGCKLSBNHSHXRL-HNNXBMFYSA-N 1 2 317.502 5.026 20 0 DKADLO CC[C@H](C)Sc1ccc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c(C)c1 ZINC000453189631 338804975 /nfs/dbraw/zinc/80/49/75/338804975.db2.gz RSYFQXAZOHGCNI-GRDNDAEWSA-N 1 2 315.486 5.200 20 0 DKADLO CC[C@H](C)Sc1ccc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c(C)c1 ZINC000453189633 338804966 /nfs/dbraw/zinc/80/49/66/338804966.db2.gz RSYFQXAZOHGCNI-KEYYUXOJSA-N 1 2 315.486 5.200 20 0 DKADLO CC[C@H](C)Sc1ccc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c(C)c1 ZINC000453189634 338804959 /nfs/dbraw/zinc/80/49/59/338804959.db2.gz RSYFQXAZOHGCNI-ZQIUZPCESA-N 1 2 315.486 5.200 20 0 DKADLO CC[C@@H](Nc1cccc([NH+]2CCCCCC2)c1)c1ccncc1 ZINC000453192706 338805470 /nfs/dbraw/zinc/80/54/70/338805470.db2.gz KBMVNBQROPRNNW-HXUWFJFHSA-N 1 2 309.457 5.025 20 0 DKADLO Cc1nc([C@@H](C)[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)cs1 ZINC000462804667 339090183 /nfs/dbraw/zinc/09/01/83/339090183.db2.gz MEXFDFQQJQWWNZ-HWPZZCPQSA-N 1 2 324.440 5.168 20 0 DKADLO Cc1nc([C@H](C)[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)cs1 ZINC000462804669 339090205 /nfs/dbraw/zinc/09/02/05/339090205.db2.gz MEXFDFQQJQWWNZ-MGPLVRAMSA-N 1 2 324.440 5.168 20 0 DKADLO Cc1nc([C@H](C)[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)cs1 ZINC000462804670 339090177 /nfs/dbraw/zinc/09/01/77/339090177.db2.gz MEXFDFQQJQWWNZ-QFYYESIMSA-N 1 2 324.440 5.168 20 0 DKADLO Cc1nc([C@@H](C)[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)cs1 ZINC000462804671 339090121 /nfs/dbraw/zinc/09/01/21/339090121.db2.gz MEXFDFQQJQWWNZ-QLJPJBMISA-N 1 2 324.440 5.168 20 0 DKADLO Cc1nc([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2Cl)cs1 ZINC000462805482 339090113 /nfs/dbraw/zinc/09/01/13/339090113.db2.gz UXNMNKOHJFGBMP-BDAKNGLRSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1nc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2Cl)cs1 ZINC000462805497 339090104 /nfs/dbraw/zinc/09/01/04/339090104.db2.gz UXNMNKOHJFGBMP-RKDXNWHRSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)cs1 ZINC000462820040 339091766 /nfs/dbraw/zinc/09/17/66/339091766.db2.gz UXNMNKOHJFGBMP-DTWKUNHWSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1nc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)cs1 ZINC000462820041 339091743 /nfs/dbraw/zinc/09/17/43/339091743.db2.gz UXNMNKOHJFGBMP-IUCAKERBSA-N 1 2 315.269 5.170 20 0 DKADLO Cc1nc(N[C@H](c2cccs2)c2ccc(C(C)C)cc2)cc[nH+]1 ZINC000462921670 339098091 /nfs/dbraw/zinc/09/80/91/339098091.db2.gz CSDUXEWXCPIJRN-IBGZPJMESA-N 1 2 323.465 5.171 20 0 DKADLO Cc1nc(N[C@@H](c2cccs2)c2ccc(C(C)C)cc2)cc[nH+]1 ZINC000462921671 339098137 /nfs/dbraw/zinc/09/81/37/339098137.db2.gz CSDUXEWXCPIJRN-LJQANCHMSA-N 1 2 323.465 5.171 20 0 DKADLO CCCc1ccc([C@H](Nc2cc[nH+]c(C)n2)c2cccs2)cc1 ZINC000462923365 339098155 /nfs/dbraw/zinc/09/81/55/339098155.db2.gz BILCFQKAXBCPNG-IBGZPJMESA-N 1 2 323.465 5.001 20 0 DKADLO CCCc1ccc([C@@H](Nc2cc[nH+]c(C)n2)c2cccs2)cc1 ZINC000462923366 339098158 /nfs/dbraw/zinc/09/81/58/339098158.db2.gz BILCFQKAXBCPNG-LJQANCHMSA-N 1 2 323.465 5.001 20 0 DKADLO Fc1ccc([C@H](Nc2cccc(C3CCC3)c2)c2[nH]cc[nH+]2)cc1 ZINC000462953310 339098996 /nfs/dbraw/zinc/09/89/96/339098996.db2.gz WSSJFNNAQKXMQP-IBGZPJMESA-N 1 2 321.399 5.018 20 0 DKADLO Fc1ccc([C@@H](Nc2cccc(C3CCC3)c2)c2[nH]cc[nH+]2)cc1 ZINC000462953312 339099003 /nfs/dbraw/zinc/09/90/03/339099003.db2.gz WSSJFNNAQKXMQP-LJQANCHMSA-N 1 2 321.399 5.018 20 0 DKADLO C[C@@H](Sc1[nH+]cnc2[nH]ccc21)c1ccc(Cl)c(Cl)c1 ZINC000463079550 339104846 /nfs/dbraw/zinc/10/48/46/339104846.db2.gz DXYZRAFRSSBQGO-MRVPVSSYSA-N 1 2 324.236 5.118 20 0 DKADLO C[C@H](Sc1[nH+]cnc2[nH]ccc21)c1ccc(Cl)c(Cl)c1 ZINC000463079551 339104825 /nfs/dbraw/zinc/10/48/25/339104825.db2.gz DXYZRAFRSSBQGO-QMMMGPOBSA-N 1 2 324.236 5.118 20 0 DKADLO Cc1nc(C[N@@H+](Cc2ccccc2)[C@@H](C)c2ccccc2)oc1C ZINC000463221137 339110155 /nfs/dbraw/zinc/11/01/55/339110155.db2.gz GEXRVGKBZWBYQN-KRWDZBQOSA-N 1 2 320.436 5.055 20 0 DKADLO Cc1nc(C[N@H+](Cc2ccccc2)[C@@H](C)c2ccccc2)oc1C ZINC000463221137 339110154 /nfs/dbraw/zinc/11/01/54/339110154.db2.gz GEXRVGKBZWBYQN-KRWDZBQOSA-N 1 2 320.436 5.055 20 0 DKADLO Cc1nc(C[N@@H+](Cc2ccccc2)[C@H](C)c2ccccc2)oc1C ZINC000463232521 339110734 /nfs/dbraw/zinc/11/07/34/339110734.db2.gz GEXRVGKBZWBYQN-QGZVFWFLSA-N 1 2 320.436 5.055 20 0 DKADLO Cc1nc(C[N@H+](Cc2ccccc2)[C@H](C)c2ccccc2)oc1C ZINC000463232521 339110733 /nfs/dbraw/zinc/11/07/33/339110733.db2.gz GEXRVGKBZWBYQN-QGZVFWFLSA-N 1 2 320.436 5.055 20 0 DKADLO O=C(CCCC1CCCC1)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000463644763 339123105 /nfs/dbraw/zinc/12/31/05/339123105.db2.gz QMZOTDPPZIDJOJ-UHFFFAOYSA-N 1 2 324.424 5.173 20 0 DKADLO O=C(CCCC1CCCC1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000463844453 339127129 /nfs/dbraw/zinc/12/71/29/339127129.db2.gz PFGJAIQAXVCGTQ-UHFFFAOYSA-N 1 2 324.424 5.173 20 0 DKADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccc(-c3ccccc3)cc2)cs1 ZINC000464767537 339151930 /nfs/dbraw/zinc/15/19/30/339151930.db2.gz GIJJHCWAHRSBPD-HNNXBMFYSA-N 1 2 322.477 5.312 20 0 DKADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccc(-c3ccccc3)cc2)cs1 ZINC000464767537 339151929 /nfs/dbraw/zinc/15/19/29/339151929.db2.gz GIJJHCWAHRSBPD-HNNXBMFYSA-N 1 2 322.477 5.312 20 0 DKADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccc(-c3ccccc3)cc2)cs1 ZINC000464767538 339151960 /nfs/dbraw/zinc/15/19/60/339151960.db2.gz GIJJHCWAHRSBPD-OAHLLOKOSA-N 1 2 322.477 5.312 20 0 DKADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccc(-c3ccccc3)cc2)cs1 ZINC000464767538 339151959 /nfs/dbraw/zinc/15/19/59/339151959.db2.gz GIJJHCWAHRSBPD-OAHLLOKOSA-N 1 2 322.477 5.312 20 0 DKADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccc(-c3ccccc3)cc2)oc1C ZINC000464777345 339152770 /nfs/dbraw/zinc/15/27/70/339152770.db2.gz STQPLRKWVNNZFA-INIZCTEOSA-N 1 2 320.436 5.151 20 0 DKADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccc(-c3ccccc3)cc2)oc1C ZINC000464777345 339152769 /nfs/dbraw/zinc/15/27/69/339152769.db2.gz STQPLRKWVNNZFA-INIZCTEOSA-N 1 2 320.436 5.151 20 0 DKADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccc(-c3ccccc3)cc2)oc1C ZINC000464777347 339152749 /nfs/dbraw/zinc/15/27/49/339152749.db2.gz STQPLRKWVNNZFA-MRXNPFEDSA-N 1 2 320.436 5.151 20 0 DKADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccc(-c3ccccc3)cc2)oc1C ZINC000464777347 339152748 /nfs/dbraw/zinc/15/27/48/339152748.db2.gz STQPLRKWVNNZFA-MRXNPFEDSA-N 1 2 320.436 5.151 20 0 DKADLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2csc(C(C)C)n2)o1 ZINC000464831520 339155913 /nfs/dbraw/zinc/15/59/13/339155913.db2.gz AZSFXDMBUWESQT-BBRMVZONSA-N 1 2 318.486 5.141 20 0 DKADLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2csc(C(C)C)n2)o1 ZINC000464831520 339155912 /nfs/dbraw/zinc/15/59/12/339155912.db2.gz AZSFXDMBUWESQT-BBRMVZONSA-N 1 2 318.486 5.141 20 0 DKADLO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2csc(C(C)C)n2)o1 ZINC000464831521 339156057 /nfs/dbraw/zinc/15/60/57/339156057.db2.gz AZSFXDMBUWESQT-CJNGLKHVSA-N 1 2 318.486 5.141 20 0 DKADLO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2csc(C(C)C)n2)o1 ZINC000464831521 339156056 /nfs/dbraw/zinc/15/60/56/339156056.db2.gz AZSFXDMBUWESQT-CJNGLKHVSA-N 1 2 318.486 5.141 20 0 DKADLO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2csc(C(C)C)n2)o1 ZINC000464831522 339155939 /nfs/dbraw/zinc/15/59/39/339155939.db2.gz AZSFXDMBUWESQT-CZUORRHYSA-N 1 2 318.486 5.141 20 0 DKADLO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2csc(C(C)C)n2)o1 ZINC000464831522 339155938 /nfs/dbraw/zinc/15/59/38/339155938.db2.gz AZSFXDMBUWESQT-CZUORRHYSA-N 1 2 318.486 5.141 20 0 DKADLO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2csc(C(C)C)n2)o1 ZINC000464831523 339155868 /nfs/dbraw/zinc/15/58/68/339155868.db2.gz AZSFXDMBUWESQT-XJKSGUPXSA-N 1 2 318.486 5.141 20 0 DKADLO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2csc(C(C)C)n2)o1 ZINC000464831523 339155867 /nfs/dbraw/zinc/15/58/67/339155867.db2.gz AZSFXDMBUWESQT-XJKSGUPXSA-N 1 2 318.486 5.141 20 0 DKADLO C[C@H]1CC[N@@H+](Cc2csc(C(C)(C)C)n2)[C@@H](c2ccco2)C1 ZINC000464848210 339157412 /nfs/dbraw/zinc/15/74/12/339157412.db2.gz GBBMDAQTKWGHEI-DZGCQCFKSA-N 1 2 318.486 5.007 20 0 DKADLO C[C@H]1CC[N@H+](Cc2csc(C(C)(C)C)n2)[C@@H](c2ccco2)C1 ZINC000464848210 339157411 /nfs/dbraw/zinc/15/74/11/339157411.db2.gz GBBMDAQTKWGHEI-DZGCQCFKSA-N 1 2 318.486 5.007 20 0 DKADLO C[C@@H]1CC[N@@H+](Cc2csc(C(C)(C)C)n2)[C@H](c2ccco2)C1 ZINC000464848212 339157407 /nfs/dbraw/zinc/15/74/07/339157407.db2.gz GBBMDAQTKWGHEI-HIFRSBDPSA-N 1 2 318.486 5.007 20 0 DKADLO C[C@@H]1CC[N@H+](Cc2csc(C(C)(C)C)n2)[C@H](c2ccco2)C1 ZINC000464848212 339157406 /nfs/dbraw/zinc/15/74/06/339157406.db2.gz GBBMDAQTKWGHEI-HIFRSBDPSA-N 1 2 318.486 5.007 20 0 DKADLO C[C@@H]1CC[N@@H+](Cc2csc(C(C)(C)C)n2)[C@@H](c2ccco2)C1 ZINC000464848213 339157373 /nfs/dbraw/zinc/15/73/73/339157373.db2.gz GBBMDAQTKWGHEI-UKRRQHHQSA-N 1 2 318.486 5.007 20 0 DKADLO C[C@@H]1CC[N@H+](Cc2csc(C(C)(C)C)n2)[C@@H](c2ccco2)C1 ZINC000464848213 339157372 /nfs/dbraw/zinc/15/73/72/339157372.db2.gz GBBMDAQTKWGHEI-UKRRQHHQSA-N 1 2 318.486 5.007 20 0 DKADLO C[C@H]1CC[N@@H+](Cc2csc(C(C)(C)C)n2)[C@H](c2ccco2)C1 ZINC000464848214 339157482 /nfs/dbraw/zinc/15/74/82/339157482.db2.gz GBBMDAQTKWGHEI-ZFWWWQNUSA-N 1 2 318.486 5.007 20 0 DKADLO C[C@H]1CC[N@H+](Cc2csc(C(C)(C)C)n2)[C@H](c2ccco2)C1 ZINC000464848214 339157481 /nfs/dbraw/zinc/15/74/81/339157481.db2.gz GBBMDAQTKWGHEI-ZFWWWQNUSA-N 1 2 318.486 5.007 20 0 DKADLO c1nc(C2CCC2)sc1CNc1ccc(-c2ccccc2)c[nH+]1 ZINC000466620871 339210706 /nfs/dbraw/zinc/21/07/06/339210706.db2.gz XDXXUNXYJAXNLB-UHFFFAOYSA-N 1 2 321.449 5.085 20 0 DKADLO CCOCc1cccc(N[C@@H]2CCC[C@H](c3[nH+]cccc3C)C2)c1 ZINC000467332812 339232019 /nfs/dbraw/zinc/23/20/19/339232019.db2.gz HWCPYIFRFLQVBT-AZUAARDMSA-N 1 2 324.468 5.065 20 0 DKADLO CCOCc1cccc(N[C@H]2CCC[C@H](c3[nH+]cccc3C)C2)c1 ZINC000467332813 339232045 /nfs/dbraw/zinc/23/20/45/339232045.db2.gz HWCPYIFRFLQVBT-ICSRJNTNSA-N 1 2 324.468 5.065 20 0 DKADLO CCOCc1cccc(N[C@H]2CCC[C@@H](c3[nH+]cccc3C)C2)c1 ZINC000467332814 339232043 /nfs/dbraw/zinc/23/20/43/339232043.db2.gz HWCPYIFRFLQVBT-QUCCMNQESA-N 1 2 324.468 5.065 20 0 DKADLO CCOCc1cccc(N[C@@H]2CCC[C@@H](c3[nH+]cccc3C)C2)c1 ZINC000467332815 339232032 /nfs/dbraw/zinc/23/20/32/339232032.db2.gz HWCPYIFRFLQVBT-UYAOXDASSA-N 1 2 324.468 5.065 20 0 DKADLO Cc1ccc[nH+]c1[C@@H]1CCC[C@@H](Nc2cccc(C(F)F)c2)C1 ZINC000467380460 339235495 /nfs/dbraw/zinc/23/54/95/339235495.db2.gz GNVHBPITWDLNQQ-GDBMZVCRSA-N 1 2 316.395 5.466 20 0 DKADLO Cc1ccc[nH+]c1[C@H]1CCC[C@@H](Nc2cccc(C(F)F)c2)C1 ZINC000467380461 339235543 /nfs/dbraw/zinc/23/55/43/339235543.db2.gz GNVHBPITWDLNQQ-GOEBONIOSA-N 1 2 316.395 5.466 20 0 DKADLO Cc1ccc[nH+]c1[C@H]1CCC[C@H](Nc2cccc(C(F)F)c2)C1 ZINC000467380462 339235501 /nfs/dbraw/zinc/23/55/01/339235501.db2.gz GNVHBPITWDLNQQ-HOCLYGCPSA-N 1 2 316.395 5.466 20 0 DKADLO Cc1ccc[nH+]c1[C@@H]1CCC[C@H](Nc2cccc(C(F)F)c2)C1 ZINC000467380463 339235519 /nfs/dbraw/zinc/23/55/19/339235519.db2.gz GNVHBPITWDLNQQ-ZBFHGGJFSA-N 1 2 316.395 5.466 20 0 DKADLO CO[C@H](C)c1cccc(N[C@@H]2CCC[C@H](c3[nH+]cccc3C)C2)c1 ZINC000467382838 339235768 /nfs/dbraw/zinc/23/57/68/339235768.db2.gz RHLHXZMVZOOKCV-IMFGXOCKSA-N 1 2 324.468 5.236 20 0 DKADLO CO[C@H](C)c1cccc(N[C@H]2CCC[C@H](c3[nH+]cccc3C)C2)c1 ZINC000467382841 339235788 /nfs/dbraw/zinc/23/57/88/339235788.db2.gz RHLHXZMVZOOKCV-KPFFTGBYSA-N 1 2 324.468 5.236 20 0 DKADLO CO[C@H](C)c1cccc(N[C@H]2CCC[C@@H](c3[nH+]cccc3C)C2)c1 ZINC000467382842 339235781 /nfs/dbraw/zinc/23/57/81/339235781.db2.gz RHLHXZMVZOOKCV-POAQFYNOSA-N 1 2 324.468 5.236 20 0 DKADLO CO[C@H](C)c1cccc(N[C@@H]2CCC[C@@H](c3[nH+]cccc3C)C2)c1 ZINC000467382845 339235842 /nfs/dbraw/zinc/23/58/42/339235842.db2.gz RHLHXZMVZOOKCV-YVWKXTFCSA-N 1 2 324.468 5.236 20 0 DKADLO CCOCc1ccc(N[C@@H]2CCC[C@H](c3[nH+]cccc3C)C2)cc1 ZINC000467384872 339235981 /nfs/dbraw/zinc/23/59/81/339235981.db2.gz YLXSIQBOHVPCLJ-AZUAARDMSA-N 1 2 324.468 5.065 20 0 DKADLO CCOCc1ccc(N[C@H]2CCC[C@H](c3[nH+]cccc3C)C2)cc1 ZINC000467384873 339235925 /nfs/dbraw/zinc/23/59/25/339235925.db2.gz YLXSIQBOHVPCLJ-ICSRJNTNSA-N 1 2 324.468 5.065 20 0 DKADLO CCOCc1ccc(N[C@H]2CCC[C@@H](c3[nH+]cccc3C)C2)cc1 ZINC000467384874 339235989 /nfs/dbraw/zinc/23/59/89/339235989.db2.gz YLXSIQBOHVPCLJ-QUCCMNQESA-N 1 2 324.468 5.065 20 0 DKADLO CCOCc1ccc(N[C@@H]2CCC[C@@H](c3[nH+]cccc3C)C2)cc1 ZINC000467384875 339236002 /nfs/dbraw/zinc/23/60/02/339236002.db2.gz YLXSIQBOHVPCLJ-UYAOXDASSA-N 1 2 324.468 5.065 20 0 DKADLO CC[C@H](SCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000467540196 339241440 /nfs/dbraw/zinc/24/14/40/339241440.db2.gz BLYKKADXWIMDHD-IBGZPJMESA-N 1 2 322.477 5.316 20 0 DKADLO CC[C@@H](SCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000467540197 339241331 /nfs/dbraw/zinc/24/13/31/339241331.db2.gz BLYKKADXWIMDHD-LJQANCHMSA-N 1 2 322.477 5.316 20 0 DKADLO Cc1cccc([C@H](C)SCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000467544850 339241692 /nfs/dbraw/zinc/24/16/92/339241692.db2.gz XXZNPRYKLUXQGD-KRWDZBQOSA-N 1 2 322.477 5.234 20 0 DKADLO Cc1cccc([C@@H](C)SCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000467544851 339241635 /nfs/dbraw/zinc/24/16/35/339241635.db2.gz XXZNPRYKLUXQGD-QGZVFWFLSA-N 1 2 322.477 5.234 20 0 DKADLO CCc1c[nH+]ccc1[C@H](C)[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000467741807 339245426 /nfs/dbraw/zinc/24/54/26/339245426.db2.gz SSVKOJIMGBTBLB-NXEZZACHSA-N 1 2 314.376 5.027 20 0 DKADLO CCc1c[nH+]ccc1[C@@H](C)[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000467741808 339245354 /nfs/dbraw/zinc/24/53/54/339245354.db2.gz SSVKOJIMGBTBLB-UWVGGRQHSA-N 1 2 314.376 5.027 20 0 DKADLO CCc1c[nH+]ccc1[C@@H](C)[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000467741809 339245319 /nfs/dbraw/zinc/24/53/19/339245319.db2.gz SSVKOJIMGBTBLB-VHSXEESVSA-N 1 2 314.376 5.027 20 0 DKADLO CCc1c[nH+]ccc1[C@H](C)[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000467741810 339245333 /nfs/dbraw/zinc/24/53/33/339245333.db2.gz SSVKOJIMGBTBLB-ZJUUUORDSA-N 1 2 314.376 5.027 20 0 DKADLO Cc1cncc([C@@H](C)[NH2+]C2(c3c(Cl)cccc3Cl)CC2)c1 ZINC000467747063 339245746 /nfs/dbraw/zinc/24/57/46/339245746.db2.gz QMCDPWZVVKHMIN-GFCCVEGCSA-N 1 2 321.251 5.037 20 0 DKADLO Cc1cncc([C@H](C)[NH2+]C2(c3c(Cl)cccc3Cl)CC2)c1 ZINC000467747064 339245713 /nfs/dbraw/zinc/24/57/13/339245713.db2.gz QMCDPWZVVKHMIN-LBPRGKRZSA-N 1 2 321.251 5.037 20 0 DKADLO CC[C@H](C)Sc1ccc(NCc2[nH+]ccn2C(C)C)c(C)c1 ZINC000467756627 339245853 /nfs/dbraw/zinc/24/58/53/339245853.db2.gz APLWCOPQKXBJCI-HNNXBMFYSA-N 1 2 317.502 5.275 20 0 DKADLO CC[C@@H](C)Sc1ccc(NCc2[nH+]ccn2C(C)C)c(C)c1 ZINC000467756628 339245798 /nfs/dbraw/zinc/24/57/98/339245798.db2.gz APLWCOPQKXBJCI-OAHLLOKOSA-N 1 2 317.502 5.275 20 0 DKADLO CC(C)Sc1ccc(Cl)cc1NCc1[nH+]ccn1C(C)C ZINC000467759144 339245949 /nfs/dbraw/zinc/24/59/49/339245949.db2.gz RHSOTZUQXTWPKV-UHFFFAOYSA-N 1 2 323.893 5.230 20 0 DKADLO CC(C)Sc1c(Cl)cccc1NCc1[nH+]ccn1C(C)C ZINC000467763937 339246156 /nfs/dbraw/zinc/24/61/56/339246156.db2.gz XGRBLGNVKMUWNE-UHFFFAOYSA-N 1 2 323.893 5.230 20 0 DKADLO Cc1cc(C)c(NC(=O)c2ccc(C(C)C)c(Cl)c2)c(C)[nH+]1 ZINC000467855141 339247798 /nfs/dbraw/zinc/24/77/98/339247798.db2.gz UJEXVAAVRVRGTG-UHFFFAOYSA-N 1 2 316.832 5.036 20 0 DKADLO CC(C)c1nc([C@@H](C)[NH2+]C2(c3ccc(Cl)cc3)CC2)cs1 ZINC000469789302 339300223 /nfs/dbraw/zinc/30/02/23/339300223.db2.gz XWKYNDGRUGZDOR-GFCCVEGCSA-N 1 2 320.889 5.260 20 0 DKADLO CC(C)c1nc([C@H](C)[NH2+]C2(c3ccc(Cl)cc3)CC2)cs1 ZINC000469789309 339300135 /nfs/dbraw/zinc/30/01/35/339300135.db2.gz XWKYNDGRUGZDOR-LBPRGKRZSA-N 1 2 320.889 5.260 20 0 DKADLO Cc1sc(C[NH2+][C@H](C)c2csc(C(C)C)n2)nc1C(C)C ZINC000469803381 339301217 /nfs/dbraw/zinc/30/12/17/339301217.db2.gz ZRCXCEWUDCGIMZ-LLVKDONJSA-N 1 2 323.531 5.006 20 0 DKADLO Cc1sc(C[NH2+][C@@H](C)c2csc(C(C)C)n2)nc1C(C)C ZINC000469803382 339301211 /nfs/dbraw/zinc/30/12/11/339301211.db2.gz ZRCXCEWUDCGIMZ-NSHDSACASA-N 1 2 323.531 5.006 20 0 DKADLO FC(F)c1cccc(C[NH+](Cc2ccco2)Cc2ccco2)c1 ZINC000470724804 339326257 /nfs/dbraw/zinc/32/62/57/339326257.db2.gz ZBGMYMFIWQEIAP-UHFFFAOYSA-N 1 2 317.335 5.013 20 0 DKADLO C[C@H](Nc1cc(C(F)(F)F)cc[nH+]1)c1cc2ccccc2o1 ZINC000471245733 339341077 /nfs/dbraw/zinc/34/10/77/339341077.db2.gz UCAMFXDIQJMWKW-JTQLQIEISA-N 1 2 306.287 5.020 20 0 DKADLO C[C@@H](Nc1cc(C(F)(F)F)cc[nH+]1)c1cc2ccccc2o1 ZINC000471245738 339341039 /nfs/dbraw/zinc/34/10/39/339341039.db2.gz UCAMFXDIQJMWKW-SNVBAGLBSA-N 1 2 306.287 5.020 20 0 DKADLO CC[N@@H+](Cc1ncc(Cl)s1)[C@H](C)c1cc2ccccc2o1 ZINC000473144626 339382496 /nfs/dbraw/zinc/38/24/96/339382496.db2.gz OIMSBTWLGODLQL-LLVKDONJSA-N 1 2 320.845 5.126 20 0 DKADLO CC[N@H+](Cc1ncc(Cl)s1)[C@H](C)c1cc2ccccc2o1 ZINC000473144626 339382495 /nfs/dbraw/zinc/38/24/95/339382495.db2.gz OIMSBTWLGODLQL-LLVKDONJSA-N 1 2 320.845 5.126 20 0 DKADLO CC[N@@H+](Cc1ncc(Cl)s1)[C@@H](C)c1cc2ccccc2o1 ZINC000473144627 339382562 /nfs/dbraw/zinc/38/25/62/339382562.db2.gz OIMSBTWLGODLQL-NSHDSACASA-N 1 2 320.845 5.126 20 0 DKADLO CC[N@H+](Cc1ncc(Cl)s1)[C@@H](C)c1cc2ccccc2o1 ZINC000473144627 339382561 /nfs/dbraw/zinc/38/25/61/339382561.db2.gz OIMSBTWLGODLQL-NSHDSACASA-N 1 2 320.845 5.126 20 0 DKADLO CC(C)c1nc(C[NH2+][C@H](C)c2cc3cccc(F)c3o2)cs1 ZINC000473988702 339396423 /nfs/dbraw/zinc/39/64/23/339396423.db2.gz VTJQAWUUKBXRBE-LLVKDONJSA-N 1 2 318.417 5.003 20 0 DKADLO CC(C)c1nc(C[NH2+][C@@H](C)c2cc3cccc(F)c3o2)cs1 ZINC000473988703 339396370 /nfs/dbraw/zinc/39/63/70/339396370.db2.gz VTJQAWUUKBXRBE-NSHDSACASA-N 1 2 318.417 5.003 20 0 DKADLO C[C@@H]([NH2+]Cc1ccsc1Cl)c1nc(C(C)(C)C)cs1 ZINC000480343226 339569870 /nfs/dbraw/zinc/56/98/70/339569870.db2.gz LZJFVMJAAYKSIZ-SECBINFHSA-N 1 2 314.907 5.006 20 0 DKADLO C[C@H]([NH2+]Cc1ccsc1Cl)c1nc(C(C)(C)C)cs1 ZINC000480343227 339569872 /nfs/dbraw/zinc/56/98/72/339569872.db2.gz LZJFVMJAAYKSIZ-VIFPVBQESA-N 1 2 314.907 5.006 20 0 DKADLO CCCC[C@H](CC)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000482849868 339644455 /nfs/dbraw/zinc/64/44/55/339644455.db2.gz LQIUKFMTJGRGBQ-HNNXBMFYSA-N 1 2 312.413 5.029 20 0 DKADLO C[C@@H]1CCC[C@H](CC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000482911849 339646778 /nfs/dbraw/zinc/64/67/78/339646778.db2.gz PFJGUXXHKOGTME-CVEARBPZSA-N 1 2 324.424 5.029 20 0 DKADLO C[C@H]1CCC[C@H](CC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000482911851 339646820 /nfs/dbraw/zinc/64/68/20/339646820.db2.gz PFJGUXXHKOGTME-HOTGVXAUSA-N 1 2 324.424 5.029 20 0 DKADLO C[C@H](Nc1cccc(-c2[nH+]ccn2C)c1)c1cc2ccccc2o1 ZINC000485238518 339700424 /nfs/dbraw/zinc/70/04/24/339700424.db2.gz QQPYFOLMCFTNJV-AWEZNQCLSA-N 1 2 317.392 5.006 20 0 DKADLO Cc1cc(C)c(NC(=O)C/C=C/c2ccc(C(C)C)cc2)c(C)[nH+]1 ZINC000488295978 339775904 /nfs/dbraw/zinc/77/59/04/339775904.db2.gz QCJOPHBZCITZRD-VOTSOKGWSA-N 1 2 322.452 5.172 20 0 DKADLO CCCc1csc(C[NH2+][C@H](CCC)c2ccc(F)cc2F)n1 ZINC000494197772 339943404 /nfs/dbraw/zinc/94/34/04/339943404.db2.gz IHEAZXXLOCZFHU-MRXNPFEDSA-N 1 2 324.440 5.005 20 0 DKADLO Fc1ccc([C@@H](Nc2ccc(C3CCC3)cc2)c2[nH]cc[nH+]2)cc1 ZINC000494502791 339951734 /nfs/dbraw/zinc/95/17/34/339951734.db2.gz KOWWTQHXICQZKK-LJQANCHMSA-N 1 2 321.399 5.018 20 0 DKADLO Cc1sc(C[NH2+][C@H](C)c2ccccc2Cl)nc1C(C)C ZINC000495471210 339985517 /nfs/dbraw/zinc/98/55/17/339985517.db2.gz UHQJVXYSWAHVFG-LLVKDONJSA-N 1 2 308.878 5.079 20 0 DKADLO CCCC[C@@H](CC)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000497312594 333235073 /nfs/dbraw/zinc/23/50/73/333235073.db2.gz QZLNZQFMTJTAOW-OAHLLOKOSA-N 1 2 312.413 5.029 20 0 DKADLO Cc1cc(N[C@H](c2cccs2)c2ccc(C(C)C)cc2)nc[nH+]1 ZINC000498803392 340023556 /nfs/dbraw/zinc/02/35/56/340023556.db2.gz SWVWHVBVSAUUDU-IBGZPJMESA-N 1 2 323.465 5.171 20 0 DKADLO Cc1cc(N[C@@H](c2cccs2)c2ccc(C(C)C)cc2)nc[nH+]1 ZINC000498803393 340023576 /nfs/dbraw/zinc/02/35/76/340023576.db2.gz SWVWHVBVSAUUDU-LJQANCHMSA-N 1 2 323.465 5.171 20 0 DKADLO CCCc1ccc([C@H](Nc2cc(C)[nH+]cn2)c2cccs2)cc1 ZINC000498838465 340024236 /nfs/dbraw/zinc/02/42/36/340024236.db2.gz UXGUOVUIDXJYED-IBGZPJMESA-N 1 2 323.465 5.001 20 0 DKADLO CCCc1ccc([C@@H](Nc2cc(C)[nH+]cn2)c2cccs2)cc1 ZINC000498838466 340024247 /nfs/dbraw/zinc/02/42/47/340024247.db2.gz UXGUOVUIDXJYED-LJQANCHMSA-N 1 2 323.465 5.001 20 0 DKADLO Cc1cc([C@@H](C)[NH2+]Cc2cc(Cl)sc2Cl)oc1C ZINC000502363664 340100635 /nfs/dbraw/zinc/10/06/35/340100635.db2.gz CXUCDLHUJAZOJL-MRVPVSSYSA-N 1 2 304.242 5.116 20 0 DKADLO Cc1cc([C@H](C)[NH2+]Cc2cc(Cl)sc2Cl)oc1C ZINC000502363666 340100583 /nfs/dbraw/zinc/10/05/83/340100583.db2.gz CXUCDLHUJAZOJL-QMMMGPOBSA-N 1 2 304.242 5.116 20 0 DKADLO Cc1cc([C@H](C)[NH2+]Cc2nc3cc(Cl)ccc3s2)oc1C ZINC000502473611 340105227 /nfs/dbraw/zinc/10/52/27/340105227.db2.gz COZWZYQGYMDKPV-JTQLQIEISA-N 1 2 320.845 5.010 20 0 DKADLO Cc1cc([C@@H](C)[NH2+]Cc2nc3cc(Cl)ccc3s2)oc1C ZINC000502473612 340105108 /nfs/dbraw/zinc/10/51/08/340105108.db2.gz COZWZYQGYMDKPV-SNVBAGLBSA-N 1 2 320.845 5.010 20 0 DKADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)oc1C ZINC000502709968 340111838 /nfs/dbraw/zinc/11/18/38/340111838.db2.gz BATAAECQKATGNV-NEPJUHHUSA-N 1 2 306.475 5.062 20 0 DKADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)oc1C ZINC000502709969 340111831 /nfs/dbraw/zinc/11/18/31/340111831.db2.gz BATAAECQKATGNV-NWDGAFQWSA-N 1 2 306.475 5.062 20 0 DKADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)oc1C ZINC000502709971 340111833 /nfs/dbraw/zinc/11/18/33/340111833.db2.gz BATAAECQKATGNV-RYUDHWBXSA-N 1 2 306.475 5.062 20 0 DKADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)oc1C ZINC000502709973 340111726 /nfs/dbraw/zinc/11/17/26/340111726.db2.gz BATAAECQKATGNV-VXGBXAGGSA-N 1 2 306.475 5.062 20 0 DKADLO C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000504586213 340149712 /nfs/dbraw/zinc/14/97/12/340149712.db2.gz RZFDSRIQYDDHJV-CVEARBPZSA-N 1 2 324.424 5.029 20 0 DKADLO C[C@H]1CCC[C@H](CC(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000504586214 340149776 /nfs/dbraw/zinc/14/97/76/340149776.db2.gz RZFDSRIQYDDHJV-HOTGVXAUSA-N 1 2 324.424 5.029 20 0 DKADLO C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000504586215 340149739 /nfs/dbraw/zinc/14/97/39/340149739.db2.gz RZFDSRIQYDDHJV-HZPDHXFCSA-N 1 2 324.424 5.029 20 0 DKADLO C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000504586216 340149791 /nfs/dbraw/zinc/14/97/91/340149791.db2.gz RZFDSRIQYDDHJV-JKSUJKDBSA-N 1 2 324.424 5.029 20 0 DKADLO CC(C)(C)CCCC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000504686536 340151180 /nfs/dbraw/zinc/15/11/80/340151180.db2.gz GMKRGALYZCXMFW-UHFFFAOYSA-N 1 2 312.413 5.029 20 0 DKADLO CCCCCC(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000504727189 340151736 /nfs/dbraw/zinc/15/17/36/340151736.db2.gz ZHCSSMHDBSLCQB-UHFFFAOYSA-N 1 2 318.804 5.046 20 0 DKADLO CCCc1nc(C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)cs1 ZINC000505473018 340169096 /nfs/dbraw/zinc/16/90/96/340169096.db2.gz UTZFJCDUIXTBIU-CYBMUJFWSA-N 1 2 314.454 5.035 20 0 DKADLO CCCc1nc(C[N@H+](C)[C@H](C)c2cc3ccccc3o2)cs1 ZINC000505473018 340169095 /nfs/dbraw/zinc/16/90/95/340169095.db2.gz UTZFJCDUIXTBIU-CYBMUJFWSA-N 1 2 314.454 5.035 20 0 DKADLO CCCc1nc(C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)cs1 ZINC000505473019 340169208 /nfs/dbraw/zinc/16/92/08/340169208.db2.gz UTZFJCDUIXTBIU-ZDUSSCGKSA-N 1 2 314.454 5.035 20 0 DKADLO CCCc1nc(C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)cs1 ZINC000505473019 340169207 /nfs/dbraw/zinc/16/92/07/340169207.db2.gz UTZFJCDUIXTBIU-ZDUSSCGKSA-N 1 2 314.454 5.035 20 0 DKADLO CCc1cccnc1[C@H](C)Nc1cccc([NH+]2CCCCCC2)c1 ZINC000507472012 340221414 /nfs/dbraw/zinc/22/14/14/340221414.db2.gz CWOWVKBKEZKZCR-KRWDZBQOSA-N 1 2 323.484 5.198 20 0 DKADLO CCc1cccnc1[C@@H](C)Nc1cccc([NH+]2CCCCCC2)c1 ZINC000507472014 340221506 /nfs/dbraw/zinc/22/15/06/340221506.db2.gz CWOWVKBKEZKZCR-QGZVFWFLSA-N 1 2 323.484 5.198 20 0 DKADLO C[C@@H](CC1CCCC1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000510722623 340308099 /nfs/dbraw/zinc/30/80/99/340308099.db2.gz XZSQTWHBAOZRQB-HNNXBMFYSA-N 1 2 324.424 5.029 20 0 DKADLO C[C@H](CC1CCCC1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000510722624 340308138 /nfs/dbraw/zinc/30/81/38/340308138.db2.gz XZSQTWHBAOZRQB-OAHLLOKOSA-N 1 2 324.424 5.029 20 0 DKADLO C[C@@H](CC1CCCC1)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000510808043 340311714 /nfs/dbraw/zinc/31/17/14/340311714.db2.gz AIHFQTIPKUPDTM-HNNXBMFYSA-N 1 2 324.424 5.029 20 0 DKADLO C[C@H](CC1CCCC1)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000510808044 340311711 /nfs/dbraw/zinc/31/17/11/340311711.db2.gz AIHFQTIPKUPDTM-OAHLLOKOSA-N 1 2 324.424 5.029 20 0 DKADLO C[C@@H]([NH2+][C@H](C)c1ccncc1F)c1cc(Cl)sc1Cl ZINC000510937549 340315566 /nfs/dbraw/zinc/31/55/66/340315566.db2.gz YWPZPGOANLFDHL-HTQZYQBOSA-N 1 2 319.232 5.001 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1ccncc1F)c1cc(Cl)sc1Cl ZINC000510937550 340315618 /nfs/dbraw/zinc/31/56/18/340315618.db2.gz YWPZPGOANLFDHL-JGVFFNPUSA-N 1 2 319.232 5.001 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)sc1Cl)c1ccncc1F ZINC000510937551 340315568 /nfs/dbraw/zinc/31/55/68/340315568.db2.gz YWPZPGOANLFDHL-SFYZADRCSA-N 1 2 319.232 5.001 20 0 DKADLO C[C@H]([NH2+][C@@H](C)c1ccncc1F)c1cc(Cl)sc1Cl ZINC000510937552 340315627 /nfs/dbraw/zinc/31/56/27/340315627.db2.gz YWPZPGOANLFDHL-YUMQZZPRSA-N 1 2 319.232 5.001 20 0 DKADLO C[C@@H](c1ccco1)[N@@H+](Cc1nc(-c2ccccc2)cs1)C1CC1 ZINC000511748708 340336984 /nfs/dbraw/zinc/33/69/84/340336984.db2.gz SHRHOWCJCFAEIZ-AWEZNQCLSA-N 1 2 324.449 5.129 20 0 DKADLO C[C@@H](c1ccco1)[N@H+](Cc1nc(-c2ccccc2)cs1)C1CC1 ZINC000511748708 340336983 /nfs/dbraw/zinc/33/69/83/340336983.db2.gz SHRHOWCJCFAEIZ-AWEZNQCLSA-N 1 2 324.449 5.129 20 0 DKADLO C[C@H](c1ccco1)[N@@H+](Cc1nc(-c2ccccc2)cs1)C1CC1 ZINC000511748709 340337017 /nfs/dbraw/zinc/33/70/17/340337017.db2.gz SHRHOWCJCFAEIZ-CQSZACIVSA-N 1 2 324.449 5.129 20 0 DKADLO C[C@H](c1ccco1)[N@H+](Cc1nc(-c2ccccc2)cs1)C1CC1 ZINC000511748709 340337016 /nfs/dbraw/zinc/33/70/16/340337016.db2.gz SHRHOWCJCFAEIZ-CQSZACIVSA-N 1 2 324.449 5.129 20 0 DKADLO C[C@@H](c1ccco1)[N@@H+](Cc1csc(-c2ccccc2)n1)C1CC1 ZINC000511754920 340337311 /nfs/dbraw/zinc/33/73/11/340337311.db2.gz KMHRNSGFQCHDIR-AWEZNQCLSA-N 1 2 324.449 5.129 20 0 DKADLO C[C@@H](c1ccco1)[N@H+](Cc1csc(-c2ccccc2)n1)C1CC1 ZINC000511754920 340337310 /nfs/dbraw/zinc/33/73/10/340337310.db2.gz KMHRNSGFQCHDIR-AWEZNQCLSA-N 1 2 324.449 5.129 20 0 DKADLO C[C@H](c1ccco1)[N@@H+](Cc1csc(-c2ccccc2)n1)C1CC1 ZINC000511754921 340337256 /nfs/dbraw/zinc/33/72/56/340337256.db2.gz KMHRNSGFQCHDIR-CQSZACIVSA-N 1 2 324.449 5.129 20 0 DKADLO C[C@H](c1ccco1)[N@H+](Cc1csc(-c2ccccc2)n1)C1CC1 ZINC000511754921 340337255 /nfs/dbraw/zinc/33/72/55/340337255.db2.gz KMHRNSGFQCHDIR-CQSZACIVSA-N 1 2 324.449 5.129 20 0 DKADLO C[C@@H](c1ccc2ccccc2c1)[N@@H+](Cc1cscn1)C1CC1 ZINC000511779856 340338140 /nfs/dbraw/zinc/33/81/40/340338140.db2.gz WLXFEFNEGZNPNY-AWEZNQCLSA-N 1 2 308.450 5.022 20 0 DKADLO C[C@@H](c1ccc2ccccc2c1)[N@H+](Cc1cscn1)C1CC1 ZINC000511779856 340338139 /nfs/dbraw/zinc/33/81/39/340338139.db2.gz WLXFEFNEGZNPNY-AWEZNQCLSA-N 1 2 308.450 5.022 20 0 DKADLO C[C@H](c1ccc2ccccc2c1)[N@@H+](Cc1cscn1)C1CC1 ZINC000511779861 340338196 /nfs/dbraw/zinc/33/81/96/340338196.db2.gz WLXFEFNEGZNPNY-CQSZACIVSA-N 1 2 308.450 5.022 20 0 DKADLO C[C@H](c1ccc2ccccc2c1)[N@H+](Cc1cscn1)C1CC1 ZINC000511779861 340338195 /nfs/dbraw/zinc/33/81/95/340338195.db2.gz WLXFEFNEGZNPNY-CQSZACIVSA-N 1 2 308.450 5.022 20 0 DKADLO Fc1cccc2c1SCC[C@@H]2Nc1ccc2ccccc2[nH+]1 ZINC000513190788 340396236 /nfs/dbraw/zinc/39/62/36/340396236.db2.gz YPVHSHZMRPJTCA-INIZCTEOSA-N 1 2 310.397 5.023 20 0 DKADLO Fc1cccc2c1SCC[C@H]2Nc1ccc2ccccc2[nH+]1 ZINC000513190789 340396278 /nfs/dbraw/zinc/39/62/78/340396278.db2.gz YPVHSHZMRPJTCA-MRXNPFEDSA-N 1 2 310.397 5.023 20 0 DKADLO CCc1nc(C[N@@H+](Cc2ccc3ccccc3c2)C2CC2)cs1 ZINC000514099272 335067735 /nfs/dbraw/zinc/06/77/35/335067735.db2.gz MUXMGTDMVGPXLZ-UHFFFAOYSA-N 1 2 322.477 5.023 20 0 DKADLO CCc1nc(C[N@H+](Cc2ccc3ccccc3c2)C2CC2)cs1 ZINC000514099272 335067733 /nfs/dbraw/zinc/06/77/33/335067733.db2.gz MUXMGTDMVGPXLZ-UHFFFAOYSA-N 1 2 322.477 5.023 20 0 DKADLO CCc1nc([C@H](C)[NH2+]C(c2ccccc2)c2ccccc2)cs1 ZINC000514238580 337968757 /nfs/dbraw/zinc/96/87/57/337968757.db2.gz GFKYIDIGPRHPLC-HNNXBMFYSA-N 1 2 322.477 5.146 20 0 DKADLO CCc1nc([C@@H](C)[NH2+]C(c2ccccc2)c2ccccc2)cs1 ZINC000514238581 337968770 /nfs/dbraw/zinc/96/87/70/337968770.db2.gz GFKYIDIGPRHPLC-OAHLLOKOSA-N 1 2 322.477 5.146 20 0 DKADLO CC[N@@H+](Cc1csc(C(C)(C)C)n1)[C@H](C)c1ccc(F)cc1 ZINC000516197649 338007137 /nfs/dbraw/zinc/00/71/37/338007137.db2.gz XEQCORGNEWUXIZ-CYBMUJFWSA-N 1 2 320.477 5.163 20 0 DKADLO CC[N@H+](Cc1csc(C(C)(C)C)n1)[C@H](C)c1ccc(F)cc1 ZINC000516197649 338007136 /nfs/dbraw/zinc/00/71/36/338007136.db2.gz XEQCORGNEWUXIZ-CYBMUJFWSA-N 1 2 320.477 5.163 20 0 DKADLO CC[N@@H+](Cc1csc(C(C)(C)C)n1)[C@@H](C)c1ccc(F)cc1 ZINC000516197650 338007126 /nfs/dbraw/zinc/00/71/26/338007126.db2.gz XEQCORGNEWUXIZ-ZDUSSCGKSA-N 1 2 320.477 5.163 20 0 DKADLO CC[N@H+](Cc1csc(C(C)(C)C)n1)[C@@H](C)c1ccc(F)cc1 ZINC000516197650 338007125 /nfs/dbraw/zinc/00/71/25/338007125.db2.gz XEQCORGNEWUXIZ-ZDUSSCGKSA-N 1 2 320.477 5.163 20 0 DKADLO CC(C)(C)c1ncc(CNc2ccc(-c3ccccc3)c[nH+]2)s1 ZINC000516374909 338012205 /nfs/dbraw/zinc/01/22/05/338012205.db2.gz FAGCHMXMTCTHCJ-UHFFFAOYSA-N 1 2 323.465 5.115 20 0 DKADLO CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000516938620 332072214 /nfs/dbraw/zinc/07/22/14/332072214.db2.gz UIKOLEWKLKOIRU-CHWSQXEVSA-N 1 2 314.454 5.172 20 0 DKADLO CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000516938621 332072629 /nfs/dbraw/zinc/07/26/29/332072629.db2.gz UIKOLEWKLKOIRU-OLZOCXBDSA-N 1 2 314.454 5.172 20 0 DKADLO CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000516938622 332072489 /nfs/dbraw/zinc/07/24/89/332072489.db2.gz UIKOLEWKLKOIRU-QWHCGFSZSA-N 1 2 314.454 5.172 20 0 DKADLO CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000516938623 332072588 /nfs/dbraw/zinc/07/25/88/332072588.db2.gz UIKOLEWKLKOIRU-STQMWFEESA-N 1 2 314.454 5.172 20 0 DKADLO C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1cc(F)c(Cl)cc1Cl ZINC000518249552 332000614 /nfs/dbraw/zinc/00/06/14/332000614.db2.gz OKVHCGOKJRECBP-SSDOTTSWSA-N 1 2 322.594 5.230 20 0 DKADLO C[C@H]([NH2+]Cc1ccc(Cl)o1)c1cc(F)c(Cl)cc1Cl ZINC000518249553 332000636 /nfs/dbraw/zinc/00/06/36/332000636.db2.gz OKVHCGOKJRECBP-ZETCQYMHSA-N 1 2 322.594 5.230 20 0 DKADLO Fc1cccc(Cl)c1C[NH2+]Cc1c(Cl)cccc1Cl ZINC000518265061 332002890 /nfs/dbraw/zinc/00/28/90/332002890.db2.gz PZJVGIMGDUNMSS-UHFFFAOYSA-N 1 2 318.606 5.076 20 0 DKADLO CC(C)[C@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1ccccc1Cl ZINC000518444622 332043877 /nfs/dbraw/zinc/04/38/77/332043877.db2.gz UFEDZUABLRSYQQ-KRWDZBQOSA-N 1 2 320.864 5.112 20 0 DKADLO CC(C)[C@@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1ccccc1Cl ZINC000518444632 332043810 /nfs/dbraw/zinc/04/38/10/332043810.db2.gz UFEDZUABLRSYQQ-QGZVFWFLSA-N 1 2 320.864 5.112 20 0 DKADLO C[C@H]([NH2+]C1(c2c(Cl)cccc2Cl)CCC1)c1ccoc1 ZINC000519074133 335794380 /nfs/dbraw/zinc/79/43/80/335794380.db2.gz NCTJSTJFPHQTAB-NSHDSACASA-N 1 2 310.224 5.316 20 0 DKADLO CC(C)c1nc(N2CCC[C@H]2c2cccc3ccccc32)cc[nH+]1 ZINC000521364117 331555073 /nfs/dbraw/zinc/55/50/73/331555073.db2.gz GFVPFCABISUOIT-IBGZPJMESA-N 1 2 317.436 5.095 20 0 DKADLO CC(C)c1nc(N2CCC[C@@H]2c2cccc3ccccc32)cc[nH+]1 ZINC000521364118 331554986 /nfs/dbraw/zinc/55/49/86/331554986.db2.gz GFVPFCABISUOIT-LJQANCHMSA-N 1 2 317.436 5.095 20 0 DKADLO CC1CCC(CC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000523714809 340635754 /nfs/dbraw/zinc/63/57/54/340635754.db2.gz SLBSCHZGNOBJEX-UHFFFAOYSA-N 1 2 324.424 5.029 20 0 DKADLO CCc1cnc(C[N@@H+](C)[C@@H](C)c2ccc(-c3ccccc3)cc2)o1 ZINC000525779527 333301638 /nfs/dbraw/zinc/30/16/38/333301638.db2.gz DCVQQBXOXDRVAV-INIZCTEOSA-N 1 2 320.436 5.097 20 0 DKADLO CCc1cnc(C[N@H+](C)[C@@H](C)c2ccc(-c3ccccc3)cc2)o1 ZINC000525779527 333301637 /nfs/dbraw/zinc/30/16/37/333301637.db2.gz DCVQQBXOXDRVAV-INIZCTEOSA-N 1 2 320.436 5.097 20 0 DKADLO CCc1cnc(C[N@@H+](C)[C@H](C)c2ccc(-c3ccccc3)cc2)o1 ZINC000525779528 333301609 /nfs/dbraw/zinc/30/16/09/333301609.db2.gz DCVQQBXOXDRVAV-MRXNPFEDSA-N 1 2 320.436 5.097 20 0 DKADLO CCc1cnc(C[N@H+](C)[C@H](C)c2ccc(-c3ccccc3)cc2)o1 ZINC000525779528 333301608 /nfs/dbraw/zinc/30/16/08/333301608.db2.gz DCVQQBXOXDRVAV-MRXNPFEDSA-N 1 2 320.436 5.097 20 0 DKADLO CC(C)([NH2+]Cc1ccsc1Cl)c1nc2ccccc2s1 ZINC000527744675 337760741 /nfs/dbraw/zinc/76/07/41/337760741.db2.gz NBLOXAAXMNIWLZ-UHFFFAOYSA-N 1 2 322.886 5.036 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1cc(Cl)sc1Cl ZINC000528035956 337782330 /nfs/dbraw/zinc/78/23/30/337782330.db2.gz MQZSDZZZONEONJ-SFYZADRCSA-N 1 2 319.232 5.001 20 0 DKADLO Cc1[nH+]c(C(C)C)ccc1CNc1cccc(C2CCOCC2)c1 ZINC000530122915 340780031 /nfs/dbraw/zinc/78/00/31/340780031.db2.gz MJWFNOQRYCNCIH-UHFFFAOYSA-N 1 2 324.468 5.020 20 0 DKADLO CC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1cc(F)ccc1F ZINC000531684627 333540741 /nfs/dbraw/zinc/54/07/41/333540741.db2.gz SINRYXRVTLBZFG-MGPLVRAMSA-N 1 2 311.322 5.045 20 0 DKADLO CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1cc(F)ccc1F ZINC000531684628 333540736 /nfs/dbraw/zinc/54/07/36/333540736.db2.gz SINRYXRVTLBZFG-QFYYESIMSA-N 1 2 311.322 5.045 20 0 DKADLO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](c2nccs2)c2ccccc2)c1 ZINC000531966094 334324323 /nfs/dbraw/zinc/32/43/23/334324323.db2.gz WTUKVIFDVKDSTB-APWZRJJASA-N 1 2 322.477 5.200 20 0 DKADLO Cc1ccc(C)c([C@H](C)[NH2+][C@H](c2nccs2)c2ccccc2)c1 ZINC000531966095 334324318 /nfs/dbraw/zinc/32/43/18/334324318.db2.gz WTUKVIFDVKDSTB-LPHOPBHVSA-N 1 2 322.477 5.200 20 0 DKADLO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000531966096 334324310 /nfs/dbraw/zinc/32/43/10/334324310.db2.gz WTUKVIFDVKDSTB-QFBILLFUSA-N 1 2 322.477 5.200 20 0 DKADLO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000531966097 334324244 /nfs/dbraw/zinc/32/42/44/334324244.db2.gz WTUKVIFDVKDSTB-VQIMIIECSA-N 1 2 322.477 5.200 20 0 DKADLO C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)Cc1nccs1 ZINC000532745896 336269436 /nfs/dbraw/zinc/26/94/36/336269436.db2.gz WWVHOJSHVRNFGA-HNNXBMFYSA-N 1 2 308.450 5.003 20 0 DKADLO C[C@@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)Cc1nccs1 ZINC000532745896 336269435 /nfs/dbraw/zinc/26/94/35/336269435.db2.gz WWVHOJSHVRNFGA-HNNXBMFYSA-N 1 2 308.450 5.003 20 0 DKADLO C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)Cc1nccs1 ZINC000532745897 336269373 /nfs/dbraw/zinc/26/93/73/336269373.db2.gz WWVHOJSHVRNFGA-OAHLLOKOSA-N 1 2 308.450 5.003 20 0 DKADLO C[C@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)Cc1nccs1 ZINC000532745897 336269372 /nfs/dbraw/zinc/26/93/72/336269372.db2.gz WWVHOJSHVRNFGA-OAHLLOKOSA-N 1 2 308.450 5.003 20 0 DKADLO CCC[C@H]([NH2+]Cc1c(Cl)cccc1Cl)c1ccccn1 ZINC000534305463 333574070 /nfs/dbraw/zinc/57/40/70/333574070.db2.gz SJUFPXFTHQECAJ-HNNXBMFYSA-N 1 2 309.240 5.019 20 0 DKADLO CCC[C@@H]([NH2+]Cc1c(Cl)cccc1Cl)c1ccccn1 ZINC000534305464 333574208 /nfs/dbraw/zinc/57/42/08/333574208.db2.gz SJUFPXFTHQECAJ-OAHLLOKOSA-N 1 2 309.240 5.019 20 0 DKADLO Cc1cccc(Oc2ccccc2C[NH2+][C@@H](C)c2cscn2)c1 ZINC000534331444 333577873 /nfs/dbraw/zinc/57/78/73/333577873.db2.gz DFRLJRPUVIXGIC-HNNXBMFYSA-N 1 2 324.449 5.095 20 0 DKADLO Clc1ccc([C@@H]2CCC[N@H+]2Cc2csc(C3CC3)n2)cc1 ZINC000534618536 334299897 /nfs/dbraw/zinc/29/98/97/334299897.db2.gz PDZCPHNTWIBDBU-INIZCTEOSA-N 1 2 318.873 5.011 20 0 DKADLO Clc1ccc([C@@H]2CCC[N@@H+]2Cc2csc(C3CC3)n2)cc1 ZINC000534618536 334299895 /nfs/dbraw/zinc/29/98/95/334299895.db2.gz PDZCPHNTWIBDBU-INIZCTEOSA-N 1 2 318.873 5.011 20 0 DKADLO Clc1ccc([C@H]2CCC[N@H+]2Cc2csc(C3CC3)n2)cc1 ZINC000534618537 334299932 /nfs/dbraw/zinc/29/99/32/334299932.db2.gz PDZCPHNTWIBDBU-MRXNPFEDSA-N 1 2 318.873 5.011 20 0 DKADLO Clc1ccc([C@H]2CCC[N@@H+]2Cc2csc(C3CC3)n2)cc1 ZINC000534618537 334299931 /nfs/dbraw/zinc/29/99/31/334299931.db2.gz PDZCPHNTWIBDBU-MRXNPFEDSA-N 1 2 318.873 5.011 20 0 DKADLO Clc1cccc([C@@H]2CCC[N@H+]2Cc2csc(C3CC3)n2)c1 ZINC000534689962 334330775 /nfs/dbraw/zinc/33/07/75/334330775.db2.gz FYLCTAGKLUYBPR-INIZCTEOSA-N 1 2 318.873 5.011 20 0 DKADLO Clc1cccc([C@@H]2CCC[N@@H+]2Cc2csc(C3CC3)n2)c1 ZINC000534689962 334330773 /nfs/dbraw/zinc/33/07/73/334330773.db2.gz FYLCTAGKLUYBPR-INIZCTEOSA-N 1 2 318.873 5.011 20 0 DKADLO Clc1cccc([C@H]2CCC[N@H+]2Cc2csc(C3CC3)n2)c1 ZINC000534689979 334330754 /nfs/dbraw/zinc/33/07/54/334330754.db2.gz FYLCTAGKLUYBPR-MRXNPFEDSA-N 1 2 318.873 5.011 20 0 DKADLO Clc1cccc([C@H]2CCC[N@@H+]2Cc2csc(C3CC3)n2)c1 ZINC000534689979 334330752 /nfs/dbraw/zinc/33/07/52/334330752.db2.gz FYLCTAGKLUYBPR-MRXNPFEDSA-N 1 2 318.873 5.011 20 0 DKADLO CCCC[N@@H+](Cc1ncc(C2CC2)o1)Cc1ccccc1Cl ZINC000534857937 334341709 /nfs/dbraw/zinc/34/17/09/334341709.db2.gz FZYHROYQLGBHFA-UHFFFAOYSA-N 1 2 318.848 5.008 20 0 DKADLO CCCC[N@H+](Cc1ncc(C2CC2)o1)Cc1ccccc1Cl ZINC000534857937 334341707 /nfs/dbraw/zinc/34/17/07/334341707.db2.gz FZYHROYQLGBHFA-UHFFFAOYSA-N 1 2 318.848 5.008 20 0 DKADLO Cc1cccc(C([NH2+][C@@H](C)c2cscn2)c2cccc(C)c2)c1 ZINC000535063955 334362120 /nfs/dbraw/zinc/36/21/20/334362120.db2.gz GUYCBEWRLIZDPX-INIZCTEOSA-N 1 2 322.477 5.200 20 0 DKADLO Cc1cccc(C([NH2+][C@H](C)c2cscn2)c2cccc(C)c2)c1 ZINC000535063998 334362159 /nfs/dbraw/zinc/36/21/59/334362159.db2.gz GUYCBEWRLIZDPX-MRXNPFEDSA-N 1 2 322.477 5.200 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1ccccc1Oc1ccccc1 ZINC000535065405 334362714 /nfs/dbraw/zinc/36/27/14/334362714.db2.gz PWMUDJOXVOPFMH-CABCVRRESA-N 1 2 324.449 5.347 20 0 DKADLO C[C@H]([NH2+][C@@H](C)c1ccccc1Oc1ccccc1)c1cscn1 ZINC000535065406 334362745 /nfs/dbraw/zinc/36/27/45/334362745.db2.gz PWMUDJOXVOPFMH-GJZGRUSLSA-N 1 2 324.449 5.347 20 0 DKADLO C[C@@H]([NH2+][C@H](C)c1ccccc1Oc1ccccc1)c1cscn1 ZINC000535065407 334362641 /nfs/dbraw/zinc/36/26/41/334362641.db2.gz PWMUDJOXVOPFMH-HUUCEWRRSA-N 1 2 324.449 5.347 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1ccccc1Oc1ccccc1)c1cscn1 ZINC000535065408 334362675 /nfs/dbraw/zinc/36/26/75/334362675.db2.gz PWMUDJOXVOPFMH-LSDHHAIUSA-N 1 2 324.449 5.347 20 0 DKADLO Cc1ccccc1Oc1ccccc1C[NH2+][C@@H](C)c1cscn1 ZINC000535066375 334363065 /nfs/dbraw/zinc/36/30/65/334363065.db2.gz JVMOAZQIOFDBKB-HNNXBMFYSA-N 1 2 324.449 5.095 20 0 DKADLO Cc1ccccc1Oc1ccccc1C[NH2+][C@H](C)c1cscn1 ZINC000535066385 334363289 /nfs/dbraw/zinc/36/32/89/334363289.db2.gz JVMOAZQIOFDBKB-OAHLLOKOSA-N 1 2 324.449 5.095 20 0 DKADLO Cc1ccc(Oc2ccccc2C[NH2+][C@@H](C)c2cscn2)cc1 ZINC000535779960 335765406 /nfs/dbraw/zinc/76/54/06/335765406.db2.gz JYDLKPYIKDRCBE-HNNXBMFYSA-N 1 2 324.449 5.095 20 0 DKADLO Fc1ccccc1C1([NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000536415395 332240796 /nfs/dbraw/zinc/24/07/96/332240796.db2.gz ZBHDEHJAMCDAIH-UHFFFAOYSA-N 1 2 315.775 5.004 20 0 DKADLO Cc1ccncc1[C@H](C)[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000537489892 337937997 /nfs/dbraw/zinc/93/79/97/337937997.db2.gz XCXMDUQZUDXNCA-LBPRGKRZSA-N 1 2 321.251 5.037 20 0 DKADLO C[C@H](Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)c1cccs1 ZINC000537533005 337940935 /nfs/dbraw/zinc/94/09/35/337940935.db2.gz DLVHKRMTGLBJMR-AWEZNQCLSA-N 1 2 323.465 5.121 20 0 DKADLO C[C@@H]([NH2+][C@H](c1cc2ccccc2o1)c1ccccc1)c1ccco1 ZINC000537972605 340794730 /nfs/dbraw/zinc/79/47/30/340794730.db2.gz RYDRSHPPXRRJIH-VFNWGFHPSA-N 1 2 317.388 5.466 20 0 DKADLO C[C@H]([NH2+][C@@H](c1cc2ccccc2o1)c1ccccc1)c1ccco1 ZINC000537972606 340794715 /nfs/dbraw/zinc/79/47/15/340794715.db2.gz RYDRSHPPXRRJIH-YCRPNKLZSA-N 1 2 317.388 5.466 20 0 DKADLO CCc1cnc(C[NH2+][C@@H](CCC(C)C)c2ccc(Cl)cc2)o1 ZINC000538166887 340812049 /nfs/dbraw/zinc/81/20/49/340812049.db2.gz DOHURADHUYEODW-KRWDZBQOSA-N 1 2 320.864 5.158 20 0 DKADLO CCCCc1nc(C[NH2+][C@@H](CC)c2ccc(F)cc2F)cs1 ZINC000538210268 340813460 /nfs/dbraw/zinc/81/34/60/340813460.db2.gz FGVHOHKBIFDFEK-INIZCTEOSA-N 1 2 324.440 5.005 20 0 DKADLO CCCCc1nc(C[NH2+][C@@H](CC)c2cc(F)ccc2F)cs1 ZINC000538256504 340815197 /nfs/dbraw/zinc/81/51/97/340815197.db2.gz PSPREYDIKCRUBF-INIZCTEOSA-N 1 2 324.440 5.005 20 0 DKADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)c1cccc(F)c1F ZINC000538463512 340824870 /nfs/dbraw/zinc/82/48/70/340824870.db2.gz WDIPOVJUDNTGCQ-NXEZZACHSA-N 1 2 313.750 5.169 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1c(F)cccc1Cl ZINC000538463514 340824865 /nfs/dbraw/zinc/82/48/65/340824865.db2.gz WDIPOVJUDNTGCQ-VHSXEESVSA-N 1 2 313.750 5.169 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1cccc(F)c1F ZINC000538463515 340824900 /nfs/dbraw/zinc/82/49/00/340824900.db2.gz WDIPOVJUDNTGCQ-ZJUUUORDSA-N 1 2 313.750 5.169 20 0 DKADLO C[C@H](Nc1cccc([NH+]2CCCCCC2)c1)c1cccs1 ZINC000538639860 340836708 /nfs/dbraw/zinc/83/67/08/340836708.db2.gz JXOQKRYQZUXYMY-HNNXBMFYSA-N 1 2 300.471 5.302 20 0 DKADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(Oc3ccccc3)cc2)o1 ZINC000539261279 340878793 /nfs/dbraw/zinc/87/87/93/340878793.db2.gz NJINZJVGTSZRDK-JKSUJKDBSA-N 1 2 322.408 5.187 20 0 DKADLO CSc1cccc(N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000539682587 340895874 /nfs/dbraw/zinc/89/58/74/340895874.db2.gz SKVRFYFWPZGGOY-OAHLLOKOSA-N 1 2 323.465 5.076 20 0 DKADLO CSc1ccc(C)c(N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000539682611 340895871 /nfs/dbraw/zinc/89/58/71/340895871.db2.gz UBMMXSGHKRVFSF-HNNXBMFYSA-N 1 2 323.465 5.076 20 0 DKADLO C[C@@H](Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)c1ccccc1 ZINC000539735899 340897976 /nfs/dbraw/zinc/89/79/76/340897976.db2.gz LPHKYDBFGFWARM-MRXNPFEDSA-N 1 2 317.436 5.060 20 0 DKADLO CC(C)[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1ccccc1Cl ZINC000540389767 340929248 /nfs/dbraw/zinc/92/92/48/340929248.db2.gz RYSDKLMMBNJGKB-QGZVFWFLSA-N 1 2 320.864 5.112 20 0 DKADLO CCCCn1cc[nH+]c1-c1cccc(N[C@@H](C)c2ccco2)c1 ZINC000540837600 340948152 /nfs/dbraw/zinc/94/81/52/340948152.db2.gz NXFBIPGSNGRCQJ-HNNXBMFYSA-N 1 2 309.413 5.116 20 0 DKADLO C[C@@H](Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccccc1 ZINC000540841926 340948549 /nfs/dbraw/zinc/94/85/49/340948549.db2.gz MMFBZFPDNWMIQJ-MRXNPFEDSA-N 1 2 317.436 5.060 20 0 DKADLO CC(C)n1cc[nH+]c1CS[C@H]1CCc2ccc(Cl)cc21 ZINC000541293618 337883407 /nfs/dbraw/zinc/88/34/07/337883407.db2.gz SFQYRZUGXUKGOT-HNNXBMFYSA-N 1 2 306.862 5.038 20 0 DKADLO CC(C)c1cnc(C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)s1 ZINC000542466063 341008380 /nfs/dbraw/zinc/00/83/80/341008380.db2.gz DHNHYTYIKDPODZ-CYBMUJFWSA-N 1 2 314.454 5.206 20 0 DKADLO CC(C)c1cnc(C[N@H+](C)[C@H](C)c2cc3ccccc3o2)s1 ZINC000542466063 341008379 /nfs/dbraw/zinc/00/83/79/341008379.db2.gz DHNHYTYIKDPODZ-CYBMUJFWSA-N 1 2 314.454 5.206 20 0 DKADLO CC(C)c1cnc(C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)s1 ZINC000542466064 341008555 /nfs/dbraw/zinc/00/85/55/341008555.db2.gz DHNHYTYIKDPODZ-ZDUSSCGKSA-N 1 2 314.454 5.206 20 0 DKADLO CC(C)c1cnc(C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)s1 ZINC000542466064 341008554 /nfs/dbraw/zinc/00/85/54/341008554.db2.gz DHNHYTYIKDPODZ-ZDUSSCGKSA-N 1 2 314.454 5.206 20 0 DKADLO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl)c1ccon1 ZINC000542697461 341017740 /nfs/dbraw/zinc/01/77/40/341017740.db2.gz MRYPTGLIQLEMNM-HTQZYQBOSA-N 1 2 319.619 5.047 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl)c1ccon1 ZINC000542697463 341017654 /nfs/dbraw/zinc/01/76/54/341017654.db2.gz MRYPTGLIQLEMNM-JGVFFNPUSA-N 1 2 319.619 5.047 20 0 DKADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccc(Cl)c(Cl)c1Cl ZINC000542697464 341017680 /nfs/dbraw/zinc/01/76/80/341017680.db2.gz MRYPTGLIQLEMNM-SFYZADRCSA-N 1 2 319.619 5.047 20 0 DKADLO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl)c1ccon1 ZINC000542697465 341017730 /nfs/dbraw/zinc/01/77/30/341017730.db2.gz MRYPTGLIQLEMNM-YUMQZZPRSA-N 1 2 319.619 5.047 20 0 DKADLO Cc1ccc([C@H]([NH2+]Cc2ccco2)c2ccccc2Cl)cc1 ZINC000542773154 341019752 /nfs/dbraw/zinc/01/97/52/341019752.db2.gz GAWXWVNPWXTMNT-IBGZPJMESA-N 1 2 311.812 5.121 20 0 DKADLO Cc1ccc([C@@H]([NH2+]Cc2ccco2)c2ccccc2Cl)cc1 ZINC000542773158 341019795 /nfs/dbraw/zinc/01/97/95/341019795.db2.gz GAWXWVNPWXTMNT-LJQANCHMSA-N 1 2 311.812 5.121 20 0 DKADLO Clc1cccc([C@@H]2CCC[N@H+]2Cc2nc(C3CC3)cs2)c1 ZINC000543139834 341033758 /nfs/dbraw/zinc/03/37/58/341033758.db2.gz HGBZWSXHPKZYMI-INIZCTEOSA-N 1 2 318.873 5.011 20 0 DKADLO Clc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(C3CC3)cs2)c1 ZINC000543139834 341033757 /nfs/dbraw/zinc/03/37/57/341033757.db2.gz HGBZWSXHPKZYMI-INIZCTEOSA-N 1 2 318.873 5.011 20 0 DKADLO Clc1cccc([C@H]2CCC[N@H+]2Cc2nc(C3CC3)cs2)c1 ZINC000543139836 341033865 /nfs/dbraw/zinc/03/38/65/341033865.db2.gz HGBZWSXHPKZYMI-MRXNPFEDSA-N 1 2 318.873 5.011 20 0 DKADLO Clc1cccc([C@H]2CCC[N@@H+]2Cc2nc(C3CC3)cs2)c1 ZINC000543139836 341033864 /nfs/dbraw/zinc/03/38/64/341033864.db2.gz HGBZWSXHPKZYMI-MRXNPFEDSA-N 1 2 318.873 5.011 20 0 DKADLO CC[N@@H+](Cc1ccc(Cl)s1)Cc1ncc(C(C)C)s1 ZINC000543394922 341041689 /nfs/dbraw/zinc/04/16/89/341041689.db2.gz QKBVCJXHHOJGLU-UHFFFAOYSA-N 1 2 314.907 5.004 20 0 DKADLO CC[N@H+](Cc1ccc(Cl)s1)Cc1ncc(C(C)C)s1 ZINC000543394922 341041688 /nfs/dbraw/zinc/04/16/88/341041688.db2.gz QKBVCJXHHOJGLU-UHFFFAOYSA-N 1 2 314.907 5.004 20 0 DKADLO Cc1c2ccccc2oc1C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000544360004 341078111 /nfs/dbraw/zinc/07/81/11/341078111.db2.gz QCFBBGRWIVLXFM-NRFANRHFSA-N 1 2 317.388 5.213 20 0 DKADLO Cc1c2ccccc2oc1C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000544360008 341078187 /nfs/dbraw/zinc/07/81/87/341078187.db2.gz QCFBBGRWIVLXFM-OAQYLSRUSA-N 1 2 317.388 5.213 20 0 DKADLO CCC[C@H](Nc1cccc([NH+]2CCCCCC2)c1)c1cccnc1 ZINC000544603003 341088254 /nfs/dbraw/zinc/08/82/54/341088254.db2.gz NWLYGIDDYGAJEA-NRFANRHFSA-N 1 2 323.484 5.415 20 0 DKADLO CCC[C@@H](Nc1cccc([NH+]2CCCCCC2)c1)c1cccnc1 ZINC000544603017 341088212 /nfs/dbraw/zinc/08/82/12/341088212.db2.gz NWLYGIDDYGAJEA-OAQYLSRUSA-N 1 2 323.484 5.415 20 0 DKADLO C[C@H]([NH2+]Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1)c1ccon1 ZINC000544617657 341089442 /nfs/dbraw/zinc/08/94/42/341089442.db2.gz YLBHBIKIWCWHOH-AWEZNQCLSA-N 1 2 324.424 5.083 20 0 DKADLO C[C@@H]([NH2+]Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1)c1ccon1 ZINC000544617658 341089525 /nfs/dbraw/zinc/08/95/25/341089525.db2.gz YLBHBIKIWCWHOH-CQSZACIVSA-N 1 2 324.424 5.083 20 0 DKADLO Cc1cnc([C@H](C)[NH2+]C(c2ccccc2C)c2ccccc2C)o1 ZINC000545520105 341128379 /nfs/dbraw/zinc/12/83/79/341128379.db2.gz DSXADAIXLGPISI-KRWDZBQOSA-N 1 2 320.436 5.040 20 0 DKADLO Cc1cnc([C@@H](C)[NH2+]C(c2ccccc2C)c2ccccc2C)o1 ZINC000545520106 341128336 /nfs/dbraw/zinc/12/83/36/341128336.db2.gz DSXADAIXLGPISI-QGZVFWFLSA-N 1 2 320.436 5.040 20 0 DKADLO Cc1ccccc1C([NH2+][C@@H](C)c1cscn1)c1ccccc1C ZINC000546166870 341155568 /nfs/dbraw/zinc/15/55/68/341155568.db2.gz SDWWMKWLIHXONU-INIZCTEOSA-N 1 2 322.477 5.200 20 0 DKADLO Cc1ccccc1C([NH2+][C@H](C)c1cscn1)c1ccccc1C ZINC000546166871 341155605 /nfs/dbraw/zinc/15/56/05/341155605.db2.gz SDWWMKWLIHXONU-MRXNPFEDSA-N 1 2 322.477 5.200 20 0 DKADLO Cc1ccc(CNc2ccc3oc4ccccc4c3c2)c(C)[nH+]1 ZINC000547490020 341217039 /nfs/dbraw/zinc/21/70/39/341217039.db2.gz DCLBIBRZZWOFRY-UHFFFAOYSA-N 1 2 302.377 5.210 20 0 DKADLO C[C@@H]([NH2+]Cc1nc(-c2cc3ccccc3o2)cs1)c1ccoc1 ZINC000547507004 341218850 /nfs/dbraw/zinc/21/88/50/341218850.db2.gz HOHANKHDKHWWKV-GFCCVEGCSA-N 1 2 324.405 5.000 20 0 DKADLO C[C@H]([NH2+]Cc1nc(-c2cc3ccccc3o2)cs1)c1ccoc1 ZINC000547507005 341218932 /nfs/dbraw/zinc/21/89/32/341218932.db2.gz HOHANKHDKHWWKV-LBPRGKRZSA-N 1 2 324.405 5.000 20 0 DKADLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1sccc1Cl ZINC000549349677 341292144 /nfs/dbraw/zinc/29/21/44/341292144.db2.gz BYSWWCDWTXVENF-JTQLQIEISA-N 1 2 322.886 5.204 20 0 DKADLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1sccc1Cl ZINC000549349677 341292143 /nfs/dbraw/zinc/29/21/43/341292143.db2.gz BYSWWCDWTXVENF-JTQLQIEISA-N 1 2 322.886 5.204 20 0 DKADLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1sccc1Cl ZINC000549349678 341292110 /nfs/dbraw/zinc/29/21/10/341292110.db2.gz BYSWWCDWTXVENF-SNVBAGLBSA-N 1 2 322.886 5.204 20 0 DKADLO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1sccc1Cl ZINC000549349678 341292109 /nfs/dbraw/zinc/29/21/09/341292109.db2.gz BYSWWCDWTXVENF-SNVBAGLBSA-N 1 2 322.886 5.204 20 0 DKADLO Cc1nc(C[N@H+](CC(C)C)[C@@H](C)c2ccccc2Cl)oc1C ZINC000551418447 341341069 /nfs/dbraw/zinc/34/10/69/341341069.db2.gz DOCSOOOEKJBTDW-AWEZNQCLSA-N 1 2 320.864 5.164 20 0 DKADLO Cc1nc(C[N@@H+](CC(C)C)[C@@H](C)c2ccccc2Cl)oc1C ZINC000551418447 341341068 /nfs/dbraw/zinc/34/10/68/341341068.db2.gz DOCSOOOEKJBTDW-AWEZNQCLSA-N 1 2 320.864 5.164 20 0 DKADLO Cc1nc(C[N@H+](CC(C)C)[C@H](C)c2ccccc2Cl)oc1C ZINC000551418449 341341147 /nfs/dbraw/zinc/34/11/47/341341147.db2.gz DOCSOOOEKJBTDW-CQSZACIVSA-N 1 2 320.864 5.164 20 0 DKADLO Cc1nc(C[N@@H+](CC(C)C)[C@H](C)c2ccccc2Cl)oc1C ZINC000551418449 341341146 /nfs/dbraw/zinc/34/11/46/341341146.db2.gz DOCSOOOEKJBTDW-CQSZACIVSA-N 1 2 320.864 5.164 20 0 DKADLO C[C@H](Nc1cccc(CSC2CCCCC2)c1)c1[nH]cc[nH+]1 ZINC000552066027 341366822 /nfs/dbraw/zinc/36/68/22/341366822.db2.gz WITVPVZLZXGJJA-AWEZNQCLSA-N 1 2 315.486 5.149 20 0 DKADLO C[C@@H](Nc1cccc(CSC2CCCCC2)c1)c1[nH]cc[nH+]1 ZINC000552066028 341366787 /nfs/dbraw/zinc/36/67/87/341366787.db2.gz WITVPVZLZXGJJA-CQSZACIVSA-N 1 2 315.486 5.149 20 0 DKADLO Cc1cc(SC2CCCCC2)ccc1N[C@@H](C)c1[nH]cc[nH+]1 ZINC000552066352 341366770 /nfs/dbraw/zinc/36/67/70/341366770.db2.gz GMLBEBUSVHPFAZ-AWEZNQCLSA-N 1 2 315.486 5.316 20 0 DKADLO Cc1cc(SC2CCCCC2)ccc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000552066353 341366871 /nfs/dbraw/zinc/36/68/71/341366871.db2.gz GMLBEBUSVHPFAZ-CQSZACIVSA-N 1 2 315.486 5.316 20 0 DKADLO CC(C)CC[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccoc1 ZINC000552246103 341381009 /nfs/dbraw/zinc/38/10/09/341381009.db2.gz IOKVPWIBQRKHPN-IBGZPJMESA-N 1 2 324.424 5.202 20 0 DKADLO CC(C)CC[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccoc1 ZINC000552246104 341381027 /nfs/dbraw/zinc/38/10/27/341381027.db2.gz IOKVPWIBQRKHPN-LJQANCHMSA-N 1 2 324.424 5.202 20 0 DKADLO CSCc1cccc(N[C@H](c2[nH]cc[nH+]2)C2CCCCC2)c1 ZINC000552282172 341383856 /nfs/dbraw/zinc/38/38/56/341383856.db2.gz YLNUTVMCLJLXCU-KRWDZBQOSA-N 1 2 315.486 5.006 20 0 DKADLO CSCc1cccc(N[C@@H](c2[nH]cc[nH+]2)C2CCCCC2)c1 ZINC000552282173 341383782 /nfs/dbraw/zinc/38/37/82/341383782.db2.gz YLNUTVMCLJLXCU-QGZVFWFLSA-N 1 2 315.486 5.006 20 0 DKADLO Cc1ccc([C@@H](C)[NH2+]C2(c3c(Cl)cccc3Cl)CC2)o1 ZINC000553912683 341438403 /nfs/dbraw/zinc/43/84/03/341438403.db2.gz FPTYGJYTSCQGAT-LLVKDONJSA-N 1 2 310.224 5.235 20 0 DKADLO Cc1nc([C@H](C)Nc2cccc([NH+]3CCCCCC3)c2)cs1 ZINC000554397447 341453368 /nfs/dbraw/zinc/45/33/68/341453368.db2.gz NSWWIFSEBHIQIG-AWEZNQCLSA-N 1 2 315.486 5.005 20 0 DKADLO CC[C@H](Nc1cc[nH+]c2c(Cl)cccc12)c1c(C)noc1C ZINC000557627030 331804252 /nfs/dbraw/zinc/80/42/52/331804252.db2.gz XMFRRIAFYJKLQZ-AWEZNQCLSA-N 1 2 315.804 5.056 20 0 DKADLO Cc1ccc2oc(C[NH2+][C@H](c3ccco3)c3ccccc3)cc2c1 ZINC000558156483 331880530 /nfs/dbraw/zinc/88/05/30/331880530.db2.gz BNLBVOGFDKIHBG-NRFANRHFSA-N 1 2 317.388 5.213 20 0 DKADLO Cc1[nH+]c(C(C)C)ccc1CSc1ccc(N)cc1Cl ZINC000558845455 331950136 /nfs/dbraw/zinc/95/01/36/331950136.db2.gz WEWVPWDLIRCABS-UHFFFAOYSA-N 1 2 306.862 5.041 20 0 DKADLO Clc1ccc([C@@H]2CC[N@H+]2Cc2cnc(C3CCC3)s2)cc1 ZINC000560586668 332365659 /nfs/dbraw/zinc/36/56/59/332365659.db2.gz JUKNAFWWHJCKED-INIZCTEOSA-N 1 2 318.873 5.011 20 0 DKADLO Clc1ccc([C@@H]2CC[N@@H+]2Cc2cnc(C3CCC3)s2)cc1 ZINC000560586668 332365657 /nfs/dbraw/zinc/36/56/57/332365657.db2.gz JUKNAFWWHJCKED-INIZCTEOSA-N 1 2 318.873 5.011 20 0 DKADLO Clc1ccc([C@H]2CC[N@H+]2Cc2cnc(C3CCC3)s2)cc1 ZINC000560586680 332365795 /nfs/dbraw/zinc/36/57/95/332365795.db2.gz JUKNAFWWHJCKED-MRXNPFEDSA-N 1 2 318.873 5.011 20 0 DKADLO Clc1ccc([C@H]2CC[N@@H+]2Cc2cnc(C3CCC3)s2)cc1 ZINC000560586680 332365793 /nfs/dbraw/zinc/36/57/93/332365793.db2.gz JUKNAFWWHJCKED-MRXNPFEDSA-N 1 2 318.873 5.011 20 0 DKADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1csc(Cl)c1Cl ZINC000564324950 341222243 /nfs/dbraw/zinc/22/22/43/341222243.db2.gz JYEXTKSSVPXKIP-GFCCVEGCSA-N 1 2 315.269 5.033 20 0 DKADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1csc(Cl)c1Cl ZINC000564324950 341222242 /nfs/dbraw/zinc/22/22/42/341222242.db2.gz JYEXTKSSVPXKIP-GFCCVEGCSA-N 1 2 315.269 5.033 20 0 DKADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1csc(Cl)c1Cl ZINC000564324955 341222248 /nfs/dbraw/zinc/22/22/48/341222248.db2.gz JYEXTKSSVPXKIP-LBPRGKRZSA-N 1 2 315.269 5.033 20 0 DKADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1csc(Cl)c1Cl ZINC000564324955 341222247 /nfs/dbraw/zinc/22/22/47/341222247.db2.gz JYEXTKSSVPXKIP-LBPRGKRZSA-N 1 2 315.269 5.033 20 0 DKADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2Oc2ccccc2)no1 ZINC000564662251 341506401 /nfs/dbraw/zinc/50/64/01/341506401.db2.gz WQRYAKKWWKSWMP-HZPDHXFCSA-N 1 2 322.408 5.187 20 0 DKADLO CC[C@@H]([NH2+][C@H](C)c1cscn1)c1ccc(Cl)cc1Cl ZINC000565233360 341520866 /nfs/dbraw/zinc/52/08/66/341520866.db2.gz SUIWBCBIZRUGEN-NOZJJQNGSA-N 1 2 315.269 5.252 20 0 DKADLO CC[C@@H]([NH2+][C@@H](C)c1cscn1)c1ccc(Cl)cc1Cl ZINC000565233372 332651323 /nfs/dbraw/zinc/65/13/23/332651323.db2.gz SUIWBCBIZRUGEN-TVQRCGJNSA-N 1 2 315.269 5.252 20 0 DKADLO CC[C@H]([NH2+][C@@H](C)c1cscn1)c1ccc(Cl)cc1Cl ZINC000565233374 332651237 /nfs/dbraw/zinc/65/12/37/332651237.db2.gz SUIWBCBIZRUGEN-ZANVPECISA-N 1 2 315.269 5.252 20 0 DKADLO CCc1nc([C@H](C)Nc2cc[nH+]c3c(Cl)cccc23)cs1 ZINC000567497815 341610562 /nfs/dbraw/zinc/61/05/62/341610562.db2.gz ORWNHWWQNVCNEN-JTQLQIEISA-N 1 2 317.845 5.080 20 0 DKADLO CCc1nc([C@@H](C)Nc2cc[nH+]c3c(Cl)cccc23)cs1 ZINC000567497816 341610643 /nfs/dbraw/zinc/61/06/43/341610643.db2.gz ORWNHWWQNVCNEN-SNVBAGLBSA-N 1 2 317.845 5.080 20 0 DKADLO CSCc1ccc(N[C@H](c2[nH]cc[nH+]2)C2CCCCC2)cc1 ZINC000568424756 341670822 /nfs/dbraw/zinc/67/08/22/341670822.db2.gz UXXZHEMYBDMJTR-KRWDZBQOSA-N 1 2 315.486 5.006 20 0 DKADLO CSCc1ccc(N[C@@H](c2[nH]cc[nH+]2)C2CCCCC2)cc1 ZINC000568424757 341670858 /nfs/dbraw/zinc/67/08/58/341670858.db2.gz UXXZHEMYBDMJTR-QGZVFWFLSA-N 1 2 315.486 5.006 20 0 DKADLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2csc(Cl)c2Cl)o1 ZINC000576689178 341858601 /nfs/dbraw/zinc/85/86/01/341858601.db2.gz WXHBKAVTGKYKAC-KCJUWKMLSA-N 1 2 316.253 5.061 20 0 DKADLO CCc1cnc(C[N@@H+](Cc2ccccc2)[C@@H](C)c2ccccc2)o1 ZINC000582879234 337214048 /nfs/dbraw/zinc/21/40/48/337214048.db2.gz LSCJVYFOVNYCIE-KRWDZBQOSA-N 1 2 320.436 5.000 20 0 DKADLO CCc1cnc(C[N@H+](Cc2ccccc2)[C@@H](C)c2ccccc2)o1 ZINC000582879234 337214047 /nfs/dbraw/zinc/21/40/47/337214047.db2.gz LSCJVYFOVNYCIE-KRWDZBQOSA-N 1 2 320.436 5.000 20 0 DKADLO