smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]cc(NC(=O)COc2ccccc2C)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616128 527293735 /nfs/dbraw/zinc/29/37/35/527293735.db2.gz CCRYDHPOLNPPKH-UHFFFAOYSA-N 1 2 418.522 4.939 40 0 HJABLO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc1C ZINC000019753728 558273056 /nfs/dbraw/zinc/27/30/56/558273056.db2.gz YEALQPPFWGRPLX-QFIPXVFZSA-N 1 2 416.525 4.773 40 0 HJABLO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@H+]2Cc2ccccc2)nc1C ZINC000019753728 558273059 /nfs/dbraw/zinc/27/30/59/558273059.db2.gz YEALQPPFWGRPLX-QFIPXVFZSA-N 1 2 416.525 4.773 40 0 HJABLO O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038862061 558819814 /nfs/dbraw/zinc/81/98/14/558819814.db2.gz GBLFNHRIBOLPCK-UHFFFAOYSA-N 1 2 420.365 4.901 40 0 HJABLO Cc1csc2c([C@H]3CCN(C(=O)CCc4c(C)noc4C)C3)[nH+]c(C3CCC3)n12 ZINC000019240485 558858984 /nfs/dbraw/zinc/85/89/84/558858984.db2.gz SOIYKHKSMWZCCS-KRWDZBQOSA-N 1 2 412.559 4.525 40 0 HJABLO Cc1csc2c([C@@H]3CCN(C(=O)CCc4c(C)noc4C)C3)[nH+]c(C3CCC3)n12 ZINC000019240484 558859039 /nfs/dbraw/zinc/85/90/39/558859039.db2.gz SOIYKHKSMWZCCS-QGZVFWFLSA-N 1 2 412.559 4.525 40 0 HJABLO COc1ccc2nc(C[N@@H+]3CCCC[C@H]3c3nnc(-c4scnc4C)o3)ccc2c1 ZINC000019562616 558923053 /nfs/dbraw/zinc/92/30/53/558923053.db2.gz KTJLKYZEQRFRMU-IBGZPJMESA-N 1 2 421.526 4.786 40 0 HJABLO COc1ccc2nc(C[N@H+]3CCCC[C@H]3c3nnc(-c4scnc4C)o3)ccc2c1 ZINC000019562616 558923054 /nfs/dbraw/zinc/92/30/54/558923054.db2.gz KTJLKYZEQRFRMU-IBGZPJMESA-N 1 2 421.526 4.786 40 0 HJABLO COc1cccc(C[N@@H+](Cc2ccccn2)CC2=Cc3ccccc3OC2)c1OC ZINC000019567530 558926772 /nfs/dbraw/zinc/92/67/72/558926772.db2.gz VRMCIRUYZIPMLV-UHFFFAOYSA-N 1 2 402.494 4.577 40 0 HJABLO COc1cccc(C[N@H+](Cc2ccccn2)CC2=Cc3ccccc3OC2)c1OC ZINC000019567530 558926775 /nfs/dbraw/zinc/92/67/75/558926775.db2.gz VRMCIRUYZIPMLV-UHFFFAOYSA-N 1 2 402.494 4.577 40 0 HJABLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1)Nc1ccc2ncccc2c1 ZINC000072353207 558949962 /nfs/dbraw/zinc/94/99/62/558949962.db2.gz BAVQKCOVGJHRIH-HSZRJFAPSA-N 1 2 424.508 4.544 40 0 HJABLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1)Nc1ccc2ncccc2c1 ZINC000072353207 558949964 /nfs/dbraw/zinc/94/99/64/558949964.db2.gz BAVQKCOVGJHRIH-HSZRJFAPSA-N 1 2 424.508 4.544 40 0 HJABLO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)Nc1ccc(-n2nc(C)cc2C)c(OC)c1 ZINC000019666268 558956042 /nfs/dbraw/zinc/95/60/42/558956042.db2.gz HJKOGCYPRLBGIW-QGZVFWFLSA-N 1 2 417.513 4.610 40 0 HJABLO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000019697536 558965094 /nfs/dbraw/zinc/96/50/94/558965094.db2.gz OSBPXUQFFXSEHP-LJQANCHMSA-N 1 2 412.530 4.752 40 0 HJABLO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000019697536 558965097 /nfs/dbraw/zinc/96/50/97/558965097.db2.gz OSBPXUQFFXSEHP-LJQANCHMSA-N 1 2 412.530 4.752 40 0 HJABLO Cc1ccc(NC(=O)[C@@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)cc1C ZINC000096062719 559094297 /nfs/dbraw/zinc/09/42/97/559094297.db2.gz XDBBJNANSXPDTA-DEOSSOPVSA-N 1 2 402.542 4.819 40 0 HJABLO Cc1ccccc1C(=O)c1c(NC(=O)C[NH+]2CCC(C)CC2)sc2c1CCCC2 ZINC000004847621 560609529 /nfs/dbraw/zinc/60/95/29/560609529.db2.gz CFIQPPJPLOKJRW-UHFFFAOYSA-N 1 2 410.583 4.837 40 0 HJABLO Clc1ccc(-c2cc3nc4c(c(NCCCn5cc[nH+]c5)n3n2)CCCC4)cc1 ZINC000004902582 560617463 /nfs/dbraw/zinc/61/74/63/560617463.db2.gz ZGUZMIKIZARUKL-UHFFFAOYSA-N 1 2 406.921 4.627 40 0 HJABLO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000004966450 560621713 /nfs/dbraw/zinc/62/17/13/560621713.db2.gz NBFPSQGTIYWBKO-UHFFFAOYSA-N 1 2 415.946 4.776 40 0 HJABLO CC(C)(C)c1ccc(CS[C@H]2CCCC[C@H]2OC(=O)CC[NH+]2CCOCC2)cc1 ZINC000022002197 560890847 /nfs/dbraw/zinc/89/08/47/560890847.db2.gz MRDDPWUIISWEEG-YADHBBJMSA-N 1 2 419.631 4.794 40 0 HJABLO CC(C)(C)c1ccc(CS[C@@H]2CCCC[C@@H]2OC(=O)CC[NH+]2CCOCC2)cc1 ZINC000022002183 560890852 /nfs/dbraw/zinc/89/08/52/560890852.db2.gz MRDDPWUIISWEEG-FCHUYYIVSA-N 1 2 419.631 4.794 40 0 HJABLO C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)S1 ZINC000222623302 568521212 /nfs/dbraw/zinc/52/12/12/568521212.db2.gz YNDQMVXMFNNXHA-XGRCMKMKSA-N 1 2 403.555 4.528 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2cccc(Cc3ccccc3C)n2)C1 ZINC000257294845 568802894 /nfs/dbraw/zinc/80/28/94/568802894.db2.gz QVYWRVHUYMYBLD-SANMLTNESA-N 1 2 418.585 4.949 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@H](c2cccc(Cc3ccccc3C)n2)C1 ZINC000257294845 568802898 /nfs/dbraw/zinc/80/28/98/568802898.db2.gz QVYWRVHUYMYBLD-SANMLTNESA-N 1 2 418.585 4.949 40 0 HJABLO CC[C@@H](C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328981173 568970938 /nfs/dbraw/zinc/97/09/38/568970938.db2.gz GRUOTAXBRZVZBL-CQSZACIVSA-N 1 2 402.420 4.840 40 0 HJABLO CC[C@H](C)Nc1nc(Nc2ccc(OC)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329002806 568972256 /nfs/dbraw/zinc/97/22/56/568972256.db2.gz KJIAILMVPSQEAP-AWEZNQCLSA-N 1 2 416.447 4.969 40 0 HJABLO CCNc1nc(Nc2cccc(SC)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329015913 568972841 /nfs/dbraw/zinc/97/28/41/568972841.db2.gz NDSNSYZFCCFMSQ-UHFFFAOYSA-N 1 2 420.460 4.783 40 0 HJABLO CNc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329046019 568974498 /nfs/dbraw/zinc/97/44/98/568974498.db2.gz TZACLMNZPULQOT-UHFFFAOYSA-N 1 2 412.337 4.810 40 0 HJABLO O=C(COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000008433911 569340989 /nfs/dbraw/zinc/34/09/89/569340989.db2.gz OATOULLSHRMYIW-UHFFFAOYSA-N 1 2 422.912 4.524 40 0 HJABLO c1ccc(CC2CC[NH+]([C@@H](c3nnnn3C3CCCCC3)c3cccnc3)CC2)cc1 ZINC000004925463 571046127 /nfs/dbraw/zinc/04/61/27/571046127.db2.gz KLNUTRMSEYXXJB-XMMPIXPASA-N 1 2 416.573 4.617 40 0 HJABLO Cc1[nH+]cc(NC(=O)[C@H](C)Oc2ccccc2)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615872 527298180 /nfs/dbraw/zinc/29/81/80/527298180.db2.gz WXRLCNUTVOIGAR-AWEZNQCLSA-N 1 2 422.485 4.849 40 0 HJABLO COc1ccccc1C[N@@H+](Cc1coc2ccc(Cl)cc2c1=O)C[C@H]1CCCO1 ZINC000012187558 558346658 /nfs/dbraw/zinc/34/66/58/558346658.db2.gz ZAGNIOJFJWNVDZ-LJQANCHMSA-N 1 2 413.901 4.636 40 0 HJABLO COc1ccccc1C[N@H+](Cc1coc2ccc(Cl)cc2c1=O)C[C@H]1CCCO1 ZINC000012187558 558346660 /nfs/dbraw/zinc/34/66/60/558346660.db2.gz ZAGNIOJFJWNVDZ-LJQANCHMSA-N 1 2 413.901 4.636 40 0 HJABLO COc1ccc(CC(=O)N2CC[C@H](c3[nH+]c(C4CCC4)n4c(C)csc34)C2)cc1 ZINC000019240497 558858996 /nfs/dbraw/zinc/85/89/96/558858996.db2.gz IKZPHAAPQYWGQK-SFHVURJKSA-N 1 2 409.555 4.539 40 0 HJABLO Cc1[nH+]c2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000019286757 558860576 /nfs/dbraw/zinc/86/05/76/558860576.db2.gz KVECPLFORZMVSL-HKUYNNGSSA-N 1 2 407.514 4.567 40 0 HJABLO COc1ccc(OC)c(C[N@@H+]2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1 ZINC000019574861 558932392 /nfs/dbraw/zinc/93/23/92/558932392.db2.gz ADOTZEHONBSLPV-XVGQJIODSA-N 1 2 424.467 4.545 40 0 HJABLO COc1ccc(OC)c(C[N@H+]2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1 ZINC000019574861 558932395 /nfs/dbraw/zinc/93/23/95/558932395.db2.gz ADOTZEHONBSLPV-XVGQJIODSA-N 1 2 424.467 4.545 40 0 HJABLO COc1cccc(C[N@@H+]2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1OC ZINC000019574889 558932476 /nfs/dbraw/zinc/93/24/76/558932476.db2.gz DUKYJCGHBONDFU-RPVQJOFSSA-N 1 2 424.467 4.545 40 0 HJABLO COc1cccc(C[N@H+]2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1OC ZINC000019574889 558932477 /nfs/dbraw/zinc/93/24/77/558932477.db2.gz DUKYJCGHBONDFU-RPVQJOFSSA-N 1 2 424.467 4.545 40 0 HJABLO Cn1ccnc1C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358136 558953898 /nfs/dbraw/zinc/95/38/98/558953898.db2.gz ILTPZLXLKLKKJJ-HXUWFJFHSA-N 1 2 400.448 4.762 40 0 HJABLO Cn1ccnc1C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358136 558953899 /nfs/dbraw/zinc/95/38/99/558953899.db2.gz ILTPZLXLKLKKJJ-HXUWFJFHSA-N 1 2 400.448 4.762 40 0 HJABLO Cc1nn(C[C@@H](C)c2cc(NCCCOc3cccc(C)c3)nc(C)[nH+]2)c(C)c1C ZINC000072373191 558961127 /nfs/dbraw/zinc/96/11/27/558961127.db2.gz XSDOGNHOKRUEPV-QGZVFWFLSA-N 1 2 407.562 4.900 40 0 HJABLO Cc1ccc2[nH]c(Cc3ccc(NC(=O)CC[C@@H]4c5ccccc5NC4=O)cc3)[nH+]c2c1 ZINC000019714408 558974162 /nfs/dbraw/zinc/97/41/62/558974162.db2.gz NMJJUZWIGLMOGV-HXUWFJFHSA-N 1 2 424.504 4.917 40 0 HJABLO CC(C)Cn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000001370977 560577778 /nfs/dbraw/zinc/57/77/78/560577778.db2.gz BJDNIIYXPWCRCP-UHFFFAOYSA-N 1 2 411.937 4.700 40 0 HJABLO c1ccc(CC2CC[NH+]([C@@H](c3nnnn3C3CCCCC3)c3ccccn3)CC2)cc1 ZINC000004925572 560618711 /nfs/dbraw/zinc/61/87/11/560618711.db2.gz VUORYOXHMJNATO-XMMPIXPASA-N 1 2 416.573 4.617 40 0 HJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccco4)cc3n2)cc1 ZINC000006630109 560744613 /nfs/dbraw/zinc/74/46/13/560744613.db2.gz IZWWOSFYOMGWMR-OUKQBFOZSA-N 1 2 415.497 4.820 40 0 HJABLO CC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057613838 568493985 /nfs/dbraw/zinc/49/39/85/568493985.db2.gz VGRXEUYLEKFCRN-NRFANRHFSA-N 1 2 409.484 4.585 40 0 HJABLO CC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057613838 568493986 /nfs/dbraw/zinc/49/39/86/568493986.db2.gz VGRXEUYLEKFCRN-NRFANRHFSA-N 1 2 409.484 4.585 40 0 HJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)CC2)cc1 ZINC000219854910 568499208 /nfs/dbraw/zinc/49/92/08/568499208.db2.gz DWSAWOFUWQGHOY-UHFFFAOYSA-N 1 2 419.569 4.913 40 0 HJABLO CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222975005 568532742 /nfs/dbraw/zinc/53/27/42/568532742.db2.gz PBCWRHUYGRIPPB-GOTSBHOMSA-N 1 2 419.598 4.711 40 0 HJABLO Cc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329063433 568975253 /nfs/dbraw/zinc/97/52/53/568975253.db2.gz XELDTRUMWNLDGV-UHFFFAOYSA-N 1 2 408.933 4.972 40 0 HJABLO CC(C)(C)Nc1nc(NCc2ccccc2Br)cc(-c2cccnc2)[nH+]1 ZINC000328987086 571305027 /nfs/dbraw/zinc/30/50/27/571305027.db2.gz IAVGDEHKUIQWKN-UHFFFAOYSA-N 1 2 412.335 5.124 40 0 HJABLO CC(C)(C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329010890 571305045 /nfs/dbraw/zinc/30/50/45/571305045.db2.gz MDAQVDYRIBHQNS-UHFFFAOYSA-N 1 2 412.335 5.124 40 0 HJABLO CC(C)[C@H](CO)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329062353 571306304 /nfs/dbraw/zinc/30/63/04/571306304.db2.gz WWYGIYBVZWXDCI-INIZCTEOSA-N 1 2 412.481 5.138 40 0 HJABLO O=c1c(CN(CCCn2cc[nH+]c2)Cc2ccccc2Cl)coc2ccccc12 ZINC000043277785 527450157 /nfs/dbraw/zinc/45/01/57/527450157.db2.gz UFPFKQDCSFWRCB-UHFFFAOYSA-N 1 2 407.901 4.735 40 0 HJABLO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408705532 557731547 /nfs/dbraw/zinc/73/15/47/557731547.db2.gz ICGYRMRTVWCWKY-MAIVGLDJSA-N 1 2 406.570 4.609 40 0 HJABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccccn2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753751 558273036 /nfs/dbraw/zinc/27/30/36/558273036.db2.gz IAIRICITYLPSCZ-OAQYLSRUSA-N 1 2 421.932 4.813 40 0 HJABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccccn2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753751 558273041 /nfs/dbraw/zinc/27/30/41/558273041.db2.gz IAIRICITYLPSCZ-OAQYLSRUSA-N 1 2 421.932 4.813 40 0 HJABLO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020459560 558371934 /nfs/dbraw/zinc/37/19/34/558371934.db2.gz SGYMEPOFCIBPAR-MUNMYPBESA-N 1 2 414.549 4.855 40 0 HJABLO CCCC[C@H](CC)CNC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000027911237 558684540 /nfs/dbraw/zinc/68/45/40/558684540.db2.gz QXJSPPFTSSFHLP-KRWDZBQOSA-N 1 2 409.412 4.994 40 0 HJABLO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c(F)c1 ZINC000019116895 558842273 /nfs/dbraw/zinc/84/22/73/558842273.db2.gz VKWWRXWMISLRJJ-KRWDZBQOSA-N 1 2 408.399 4.541 40 0 HJABLO COc1ccc(C[N@H+]2CCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c(F)c1 ZINC000019116895 558842274 /nfs/dbraw/zinc/84/22/74/558842274.db2.gz VKWWRXWMISLRJJ-KRWDZBQOSA-N 1 2 408.399 4.541 40 0 HJABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3c[nH]nc3C(C)(C)C)cc2n1 ZINC000019522334 558903764 /nfs/dbraw/zinc/90/37/64/558903764.db2.gz MHQJCMYGUWYNKH-MRXNPFEDSA-N 1 2 420.483 4.668 40 0 HJABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3c[nH]nc3C(C)(C)C)cc2n1 ZINC000019522334 558903768 /nfs/dbraw/zinc/90/37/68/558903768.db2.gz MHQJCMYGUWYNKH-MRXNPFEDSA-N 1 2 420.483 4.668 40 0 HJABLO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1)Nc1nccs1 ZINC000072357704 558953542 /nfs/dbraw/zinc/95/35/42/558953542.db2.gz YHYQQHVNBDDAJF-LJQANCHMSA-N 1 2 412.946 4.558 40 0 HJABLO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1)Nc1nccs1 ZINC000072357704 558953543 /nfs/dbraw/zinc/95/35/43/558953543.db2.gz YHYQQHVNBDDAJF-LJQANCHMSA-N 1 2 412.946 4.558 40 0 HJABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)Nc1cccc(Cl)c1)N(Cc1ccccc1)CC2 ZINC000096037489 559091177 /nfs/dbraw/zinc/09/11/77/559091177.db2.gz ORLRPXPFJDFGDP-QFIPXVFZSA-N 1 2 408.933 4.856 40 0 HJABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000072216681 559169538 /nfs/dbraw/zinc/16/95/38/559169538.db2.gz BQZHFNQQYZTIHC-QFIPXVFZSA-N 1 2 413.587 4.686 40 0 HJABLO CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222975065 568532744 /nfs/dbraw/zinc/53/27/44/568532744.db2.gz PBCWRHUYGRIPPB-PKTZIBPZSA-N 1 2 419.598 4.711 40 0 HJABLO Oc1cccc(C[NH+]2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 ZINC000225220583 568624234 /nfs/dbraw/zinc/62/42/34/568624234.db2.gz CNOMUJCGIUQHFB-UHFFFAOYSA-N 1 2 419.550 4.699 40 0 HJABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2cccc(Nc3nc(C)c(C)s3)n2)C1 ZINC000257269679 568795561 /nfs/dbraw/zinc/79/55/61/568795561.db2.gz MQXVDVPOHAUMRE-OAQYLSRUSA-N 1 2 424.570 4.789 40 0 HJABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2cccc(Nc3nc(C)c(C)s3)n2)C1 ZINC000257269679 568795563 /nfs/dbraw/zinc/79/55/63/568795563.db2.gz MQXVDVPOHAUMRE-OAQYLSRUSA-N 1 2 424.570 4.789 40 0 HJABLO CC[C@@H](C)Nc1nc(NCc2cccc(Br)c2)cc(-c2ccccc2)[nH+]1 ZINC000328963428 568969892 /nfs/dbraw/zinc/96/98/92/568969892.db2.gz BNKJACVXNZJLJY-OAHLLOKOSA-N 1 2 411.347 4.572 40 0 HJABLO Fc1cc(Br)ccc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000328962573 568969897 /nfs/dbraw/zinc/96/98/97/568969897.db2.gz BJHPSFQBDPBTMI-UHFFFAOYSA-N 1 2 405.315 4.588 40 0 HJABLO COc1cc2c(cc1OC)CN(c1cc(Nc3cccc(Cl)c3)nc(C)[nH+]1)CC2 ZINC000329054075 568974739 /nfs/dbraw/zinc/97/47/39/568974739.db2.gz VJMJDMUMGBBPKV-UHFFFAOYSA-N 1 2 410.905 4.762 40 0 HJABLO COc1cc2c(cc1OC)CN(c1cc(Nc3cccc(Cl)c3)[nH+]c(C)n1)CC2 ZINC000329054075 568974740 /nfs/dbraw/zinc/97/47/40/568974740.db2.gz VJMJDMUMGBBPKV-UHFFFAOYSA-N 1 2 410.905 4.762 40 0 HJABLO COC(=O)c1ccc2c(c1)CCN(c1cc(Nc3ccccc3)[nH+]c(C(C)C)n1)C2 ZINC000329057844 568974886 /nfs/dbraw/zinc/97/48/86/568974886.db2.gz WBCDZHXUPCIMGO-UHFFFAOYSA-N 1 2 402.498 4.693 40 0 HJABLO COC(=O)c1ccc2c(c1)CCN(c1cc(Nc3ccccc3)nc(C(C)C)[nH+]1)C2 ZINC000329057844 568974887 /nfs/dbraw/zinc/97/48/87/568974887.db2.gz WBCDZHXUPCIMGO-UHFFFAOYSA-N 1 2 402.498 4.693 40 0 HJABLO CCNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329062815 568975032 /nfs/dbraw/zinc/97/50/32/568975032.db2.gz WZINJLDPTFQVMB-UHFFFAOYSA-N 1 2 408.811 4.715 40 0 HJABLO Cc1ccc2[nH+]c(C)cc(OCC(=O)NCCc3ccc(C(F)(F)F)cc3)c2c1 ZINC000141564555 569354869 /nfs/dbraw/zinc/35/48/69/569354869.db2.gz SJOLDMSFEZUQAD-UHFFFAOYSA-N 1 2 402.416 4.608 40 0 HJABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329003452 571306067 /nfs/dbraw/zinc/30/60/67/571306067.db2.gz KNLRPRMYZZYYOE-MRXNPFEDSA-N 1 2 414.859 5.199 40 0 HJABLO Fc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000015675600 291280007 /nfs/dbraw/zinc/28/00/07/291280007.db2.gz HQEDPDSPCPMPFI-IBGZPJMESA-N 1 2 409.852 4.552 40 0 biogenic,in-vitro HJABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 ZINC000072378896 519878689 /nfs/dbraw/zinc/87/86/89/519878689.db2.gz SDDZYHYOAMWICJ-JOCHJYFZSA-N 1 2 413.525 4.778 40 0 HJABLO Clc1ccccc1CN(CCCn1cc[nH+]c1)Cc1ccnn1[C@H]1CCCCO1 ZINC000043277790 526986611 /nfs/dbraw/zinc/98/66/11/526986611.db2.gz ONOQWWURLXPNOS-JOCHJYFZSA-N 1 2 413.953 4.525 40 0 HJABLO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408563800 557470329 /nfs/dbraw/zinc/47/03/29/557470329.db2.gz QLZQZXWVNNQKJS-MOTZXUDYSA-N 1 2 400.975 4.678 40 0 HJABLO O=C(Nc1ccc2[nH]c(Cc3ccccc3)[nH+]c2c1)c1cccc(CN2CCCC2=O)c1 ZINC000036748780 558802547 /nfs/dbraw/zinc/80/25/47/558802547.db2.gz BUZWZNDPYWHQPS-UHFFFAOYSA-N 1 2 424.504 4.528 40 0 HJABLO C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000038855989 558819263 /nfs/dbraw/zinc/81/92/63/558819263.db2.gz JGEALQVEDVUTNQ-IBGZPJMESA-N 1 2 424.504 4.675 40 0 HJABLO COCc1ccc(C(=O)N2CC[C@@H](c3[nH+]c(C4CCC4)n4c(C)csc34)C2)cc1 ZINC000019240530 558859187 /nfs/dbraw/zinc/85/91/87/558859187.db2.gz MGTXCGSTIQFADK-LJQANCHMSA-N 1 2 409.555 4.748 40 0 HJABLO Fc1cccc(Nc2noc3c2C[N@H+](Cc2ccccc2OC[C@H]2CCCO2)CC3)c1 ZINC000019349335 558874922 /nfs/dbraw/zinc/87/49/22/558874922.db2.gz XAVTZGHQQZEGKN-HXUWFJFHSA-N 1 2 423.488 4.673 40 0 HJABLO Fc1cccc(Nc2noc3c2C[N@@H+](Cc2ccccc2OC[C@H]2CCCO2)CC3)c1 ZINC000019349335 558874924 /nfs/dbraw/zinc/87/49/24/558874924.db2.gz XAVTZGHQQZEGKN-HXUWFJFHSA-N 1 2 423.488 4.673 40 0 HJABLO COc1cccc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3nccc4ccccc43)o2)c1OC ZINC000019567858 558927051 /nfs/dbraw/zinc/92/70/51/558927051.db2.gz YBFYUNHQWUFWKF-LJQANCHMSA-N 1 2 416.481 4.639 40 0 HJABLO COc1cccc(C[N@H+]2CCC[C@@H]2c2nnc(-c3nccc4ccccc43)o2)c1OC ZINC000019567858 558927052 /nfs/dbraw/zinc/92/70/52/558927052.db2.gz YBFYUNHQWUFWKF-LJQANCHMSA-N 1 2 416.481 4.639 40 0 HJABLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1OC ZINC000019574867 558932450 /nfs/dbraw/zinc/93/24/50/558932450.db2.gz HYVQMWVWXLPKAJ-VVFCZOMOSA-N 1 2 424.467 4.545 40 0 HJABLO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1OC ZINC000019574867 558932452 /nfs/dbraw/zinc/93/24/52/558932452.db2.gz HYVQMWVWXLPKAJ-VVFCZOMOSA-N 1 2 424.467 4.545 40 0 HJABLO CC(C)(C)c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3[N@@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000072337365 558937724 /nfs/dbraw/zinc/93/77/24/558937724.db2.gz PWPSIKSLSDPFHU-WBVHZDCISA-N 1 2 418.570 4.740 40 0 HJABLO CC(C)(C)c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3[N@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000072337365 558937726 /nfs/dbraw/zinc/93/77/26/558937726.db2.gz PWPSIKSLSDPFHU-WBVHZDCISA-N 1 2 418.570 4.740 40 0 HJABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)cc1 ZINC000072357658 558953483 /nfs/dbraw/zinc/95/34/83/558953483.db2.gz KVDBPRIGRLLVMF-DEOSSOPVSA-N 1 2 419.500 4.596 40 0 HJABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)cc1 ZINC000072357658 558953486 /nfs/dbraw/zinc/95/34/86/558953486.db2.gz KVDBPRIGRLLVMF-DEOSSOPVSA-N 1 2 419.500 4.596 40 0 HJABLO Cc1cccc(NC(=O)[C@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)c1C ZINC000096037507 559091256 /nfs/dbraw/zinc/09/12/56/559091256.db2.gz GMYNCBZSDRQDRS-XMMPIXPASA-N 1 2 402.542 4.819 40 0 HJABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N(C(C)C)C(C)C)[nH+]c2)cc1 ZINC000072212994 559168255 /nfs/dbraw/zinc/16/82/55/559168255.db2.gz WEZFIAKFOHTVGL-JOCHJYFZSA-N 1 2 415.603 4.929 40 0 HJABLO CCOC(=O)c1ccc(NC(=O)N2CCC(c3[nH]c4cc(C)c(C)cc4[nH+]3)CC2)cc1 ZINC000001326495 560573454 /nfs/dbraw/zinc/57/34/54/560573454.db2.gz JXCCJXUSSKOIMP-UHFFFAOYSA-N 1 2 420.513 4.768 40 0 HJABLO Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)Nc3ccc(C(C)C)cc3)CC2)c1C ZINC000004908654 560618034 /nfs/dbraw/zinc/61/80/34/560618034.db2.gz CPWYXBFTZTYPTA-UHFFFAOYSA-N 1 2 422.573 4.651 40 0 HJABLO O=C(Cc1cccs1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000017089186 560864057 /nfs/dbraw/zinc/86/40/57/560864057.db2.gz LQWUNLSYSFINRF-UHFFFAOYSA-N 1 2 412.505 4.503 40 0 HJABLO CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222930133 568531316 /nfs/dbraw/zinc/53/13/16/568531316.db2.gz ATAVJQFNWSSTSC-GOTSBHOMSA-N 1 2 419.598 4.567 40 0 HJABLO CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222930245 568531418 /nfs/dbraw/zinc/53/14/18/568531418.db2.gz ATAVJQFNWSSTSC-XZOQPEGZSA-N 1 2 419.598 4.567 40 0 HJABLO C[NH+]1CCN(C(=O)c2ccc3oc(-c4cc(Cl)cc(Cl)c4Cl)nc3c2)CC1 ZINC000059843036 568709201 /nfs/dbraw/zinc/70/92/01/568709201.db2.gz DHWBLALNHXHZFK-UHFFFAOYSA-N 1 2 424.715 4.843 40 0 HJABLO Cc1ccccc1C[N@H+]1CCCC[C@H]1c1[nH]ncc1C(=O)N(C)Cc1ccccc1 ZINC000257298201 568804058 /nfs/dbraw/zinc/80/40/58/568804058.db2.gz RKPPATMXPDPCNO-QHCPKHFHSA-N 1 2 402.542 4.718 40 0 HJABLO Cc1ccccc1C[N@@H+]1CCCC[C@H]1c1[nH]ncc1C(=O)N(C)Cc1ccccc1 ZINC000257298201 568804059 /nfs/dbraw/zinc/80/40/59/568804059.db2.gz RKPPATMXPDPCNO-QHCPKHFHSA-N 1 2 402.542 4.718 40 0 HJABLO Cc1cc(OC(F)(F)F)ccc1Nc1cc(C2CC2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329021752 568973122 /nfs/dbraw/zinc/97/31/22/568973122.db2.gz OIOURROIELLTDJ-KRWDZBQOSA-N 1 2 410.440 4.733 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2ccc(Cc3ccc(C)cc3)cn2)C1 ZINC000019692288 569346069 /nfs/dbraw/zinc/34/60/69/569346069.db2.gz IOFYOVBXUWONAT-AREMUKBSSA-N 1 2 418.585 4.949 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2ccc(Cc3ccc(C)cc3)cn2)C1 ZINC000019692288 569346070 /nfs/dbraw/zinc/34/60/70/569346070.db2.gz IOFYOVBXUWONAT-AREMUKBSSA-N 1 2 418.585 4.949 40 0 HJABLO CC(C)(C)Nc1nc(NCc2cccc(Br)c2)cc(-c2ccncc2)[nH+]1 ZINC000328957758 571305043 /nfs/dbraw/zinc/30/50/43/571305043.db2.gz ALMZEIMDDRPPSO-UHFFFAOYSA-N 1 2 412.335 5.124 40 0 HJABLO CC(C)[C@H](CO)Nc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329003454 571306146 /nfs/dbraw/zinc/30/61/46/571306146.db2.gz KNNJIVLWDBJVRO-IBGZPJMESA-N 1 2 416.447 5.335 40 0 HJABLO c1cncc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)c1 ZINC000035425521 291281069 /nfs/dbraw/zinc/28/10/69/291281069.db2.gz AQGUWHKEVNQWFU-FQEVSTJZSA-N 1 2 405.502 4.575 40 0 biogenic,in-vitro HJABLO c1cncc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)c1 ZINC000035425521 291281071 /nfs/dbraw/zinc/28/10/71/291281071.db2.gz AQGUWHKEVNQWFU-FQEVSTJZSA-N 1 2 405.502 4.575 40 0 biogenic,in-vitro HJABLO CCOc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3cccc(Cl)c3C)CC2)cc1 ZINC000035312021 557687754 /nfs/dbraw/zinc/68/77/54/557687754.db2.gz SMQNMNXBZZNTRK-UHFFFAOYSA-N 1 2 414.933 4.581 40 0 HJABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccccn2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753749 558273132 /nfs/dbraw/zinc/27/31/32/558273132.db2.gz IAIRICITYLPSCZ-NRFANRHFSA-N 1 2 421.932 4.813 40 0 HJABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccccn2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753749 558273133 /nfs/dbraw/zinc/27/31/33/558273133.db2.gz IAIRICITYLPSCZ-NRFANRHFSA-N 1 2 421.932 4.813 40 0 HJABLO COc1ccc(/C=C(/C(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccccc2)cc1 ZINC000020112374 558336222 /nfs/dbraw/zinc/33/62/22/558336222.db2.gz VFVOMDRSMULXLC-JJIBRWJFSA-N 1 2 409.489 4.738 40 0 HJABLO Fc1cccc(Nc2noc3c2C[N@H+](Cc2ccc(Oc4ncccn4)cc2)CC3)c1 ZINC000019294035 558865627 /nfs/dbraw/zinc/86/56/27/558865627.db2.gz NAFWXRHDRFHMIB-UHFFFAOYSA-N 1 2 417.444 4.698 40 0 HJABLO Fc1cccc(Nc2noc3c2C[N@@H+](Cc2ccc(Oc4ncccn4)cc2)CC3)c1 ZINC000019294035 558865631 /nfs/dbraw/zinc/86/56/31/558865631.db2.gz NAFWXRHDRFHMIB-UHFFFAOYSA-N 1 2 417.444 4.698 40 0 HJABLO COc1ccc(C[N@H+](Cc2cccnc2)Cc2ccccc2F)cc1Cn1cccn1 ZINC000019559430 558920652 /nfs/dbraw/zinc/92/06/52/558920652.db2.gz DCKPZEBDTBQCNG-UHFFFAOYSA-N 1 2 416.500 4.677 40 0 HJABLO COc1ccc(C[N@@H+](Cc2cccnc2)Cc2ccccc2F)cc1Cn1cccn1 ZINC000019559430 558920655 /nfs/dbraw/zinc/92/06/55/558920655.db2.gz DCKPZEBDTBQCNG-UHFFFAOYSA-N 1 2 416.500 4.677 40 0 HJABLO CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)Nc1ccc(-n2nc(C)cc2C)c(OC)c1 ZINC000019666265 558956011 /nfs/dbraw/zinc/95/60/11/558956011.db2.gz HJKOGCYPRLBGIW-KRWDZBQOSA-N 1 2 417.513 4.610 40 0 HJABLO Cc1nc2ccccc2n1Cc1cc(NCc2ccccc2OC(C)C)nc(C)[nH+]1 ZINC000072373342 558961100 /nfs/dbraw/zinc/96/11/00/558961100.db2.gz NTLVNKFDIFSOKV-UHFFFAOYSA-N 1 2 401.514 4.891 40 0 HJABLO Cc1c(C[N@@H+]2CCO[C@@H](c3c4ccccc4sc3C(N)=O)C2)oc2ccccc12 ZINC000019697602 558965262 /nfs/dbraw/zinc/96/52/62/558965262.db2.gz TUIHUOLVTKPMRO-LJQANCHMSA-N 1 2 406.507 4.628 40 0 HJABLO Cc1c(C[N@H+]2CCO[C@@H](c3c4ccccc4sc3C(N)=O)C2)oc2ccccc12 ZINC000019697602 558965264 /nfs/dbraw/zinc/96/52/64/558965264.db2.gz TUIHUOLVTKPMRO-LJQANCHMSA-N 1 2 406.507 4.628 40 0 HJABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc[nH+]c2N(C(C)C)C(C)C)cc1 ZINC000072213055 559168243 /nfs/dbraw/zinc/16/82/43/559168243.db2.gz GKHFWXOBIXYHKI-QFIPXVFZSA-N 1 2 415.603 4.929 40 0 HJABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N(C(C)C)C(C)C)[nH+]c2)cc1 ZINC000072212965 559168248 /nfs/dbraw/zinc/16/82/48/559168248.db2.gz VBRNSTLEVZCAMN-OAQYLSRUSA-N 1 2 401.576 4.539 40 0 HJABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc[nH+]c2N(C(C)C)C(C)C)cc1 ZINC000072213054 559168253 /nfs/dbraw/zinc/16/82/53/559168253.db2.gz GKHFWXOBIXYHKI-JOCHJYFZSA-N 1 2 415.603 4.929 40 0 HJABLO Cc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2Cl)cc1C ZINC000001346487 560576535 /nfs/dbraw/zinc/57/65/35/560576535.db2.gz RACKNYMURRZAFQ-UHFFFAOYSA-N 1 2 423.929 4.817 40 0 HJABLO C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)S1 ZINC000222623503 568521133 /nfs/dbraw/zinc/52/11/33/568521133.db2.gz YNDQMVXMFNNXHA-USCONSEESA-N 1 2 403.555 4.528 40 0 HJABLO C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)S1 ZINC000222623446 568521164 /nfs/dbraw/zinc/52/11/64/568521164.db2.gz YNDQMVXMFNNXHA-HVETUWLQSA-N 1 2 403.555 4.528 40 0 HJABLO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000223412619 568547960 /nfs/dbraw/zinc/54/79/60/568547960.db2.gz DLVGFKJUBDYUSA-MLYOZINFSA-N 1 2 418.581 4.580 40 0 HJABLO COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)c(Cl)c1Cl ZINC000224951654 568605512 /nfs/dbraw/zinc/60/55/12/568605512.db2.gz UBJYYRANWIZDHT-UHFFFAOYSA-N 1 2 415.342 4.793 40 0 HJABLO C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)S1 ZINC000260788303 568738812 /nfs/dbraw/zinc/73/88/12/568738812.db2.gz YNDQMVXMFNNXHA-URZJWIJPSA-N 1 2 403.555 4.528 40 0 HJABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2cccc(OCc3cccc(F)c3)c2)cc[nH+]1 ZINC000257221609 568782427 /nfs/dbraw/zinc/78/24/27/568782427.db2.gz DPVKHLCZRVEBHW-QHCPKHFHSA-N 1 2 419.500 4.843 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000257223400 568782976 /nfs/dbraw/zinc/78/29/76/568782976.db2.gz DXEHPFCCHWIDJT-AREMUKBSSA-N 1 2 418.585 4.949 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000257223400 568782979 /nfs/dbraw/zinc/78/29/79/568782979.db2.gz DXEHPFCCHWIDJT-AREMUKBSSA-N 1 2 418.585 4.949 40 0 HJABLO CCc1ccc(C[N@@H+]2CCCC[C@@H]2c2n[nH]cc2C(=O)N(C)Cc2ccccc2)cc1 ZINC000257259103 568792637 /nfs/dbraw/zinc/79/26/37/568792637.db2.gz KWVKLSDUOBEXQO-XMMPIXPASA-N 1 2 416.569 4.972 40 0 HJABLO CCc1ccc(C[N@H+]2CCCC[C@@H]2c2n[nH]cc2C(=O)N(C)Cc2ccccc2)cc1 ZINC000257259103 568792639 /nfs/dbraw/zinc/79/26/39/568792639.db2.gz KWVKLSDUOBEXQO-XMMPIXPASA-N 1 2 416.569 4.972 40 0 HJABLO CCc1ccc(C[N@@H+]2CCCC[C@@H]2c2[nH]ncc2C(=O)N(C)Cc2ccccc2)cc1 ZINC000257259103 568792641 /nfs/dbraw/zinc/79/26/41/568792641.db2.gz KWVKLSDUOBEXQO-XMMPIXPASA-N 1 2 416.569 4.972 40 0 HJABLO CCc1ccc(C[N@H+]2CCCC[C@@H]2c2[nH]ncc2C(=O)N(C)Cc2ccccc2)cc1 ZINC000257259103 568792642 /nfs/dbraw/zinc/79/26/42/568792642.db2.gz KWVKLSDUOBEXQO-XMMPIXPASA-N 1 2 416.569 4.972 40 0 HJABLO FC(F)(F)c1ccccc1Cc1cccc([C@@H]2C[N@H+](Cc3ccccn3)CCO2)n1 ZINC000257302605 568805078 /nfs/dbraw/zinc/80/50/78/568805078.db2.gz SDNSHCGSYBCPGH-QFIPXVFZSA-N 1 2 413.443 4.660 40 0 HJABLO FC(F)(F)c1ccccc1Cc1cccc([C@@H]2C[N@@H+](Cc3ccccn3)CCO2)n1 ZINC000257302605 568805079 /nfs/dbraw/zinc/80/50/79/568805079.db2.gz SDNSHCGSYBCPGH-QFIPXVFZSA-N 1 2 413.443 4.660 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000257325423 568812066 /nfs/dbraw/zinc/81/20/66/568812066.db2.gz WSXAZGAKUKRHNZ-DEOSSOPVSA-N 1 2 408.521 4.855 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000257325423 568812067 /nfs/dbraw/zinc/81/20/67/568812067.db2.gz WSXAZGAKUKRHNZ-DEOSSOPVSA-N 1 2 408.521 4.855 40 0 HJABLO Cc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC(C)C)n1 ZINC000328963449 568969884 /nfs/dbraw/zinc/96/98/84/568969884.db2.gz BNXMQYDBOUQKTR-UHFFFAOYSA-N 1 2 416.447 4.627 40 0 HJABLO COc1cc2c(cc1OC)CN(c1cc(Nc3ccccc3)[nH+]c(C(C)C)n1)CC2 ZINC000329056139 568974949 /nfs/dbraw/zinc/97/49/49/568974949.db2.gz VRPJZAJZRVEZLT-UHFFFAOYSA-N 1 2 404.514 4.924 40 0 HJABLO COc1cc2c(cc1OC)CN(c1cc(Nc3ccccc3)nc(C(C)C)[nH+]1)CC2 ZINC000329056139 568974951 /nfs/dbraw/zinc/97/49/51/568974951.db2.gz VRPJZAJZRVEZLT-UHFFFAOYSA-N 1 2 404.514 4.924 40 0 HJABLO Brc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329066652 568975433 /nfs/dbraw/zinc/97/54/33/568975433.db2.gz YDGJRBIAWBOXKC-UHFFFAOYSA-N 1 2 423.358 4.717 40 0 HJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(F)cc4)cc3n2)cc1 ZINC000006630112 557711246 /nfs/dbraw/zinc/71/12/46/557711246.db2.gz OLFACQCMVYXIGM-UHFFFAOYSA-N 1 2 417.488 4.967 40 0 HJABLO C[C@H](Oc1ccc2ccccc2c1)c1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000071260610 558896429 /nfs/dbraw/zinc/89/64/29/558896429.db2.gz YIKKBEVILGCQMM-INIZCTEOSA-N 1 2 407.543 4.855 40 0 HJABLO CC[NH+](CC)Cc1nnc2sc(-c3cc(-c4ccccc4)nc4ccccc43)nn12 ZINC000071260574 558896468 /nfs/dbraw/zinc/89/64/68/558896468.db2.gz MKFYURRMGUKLBE-UHFFFAOYSA-N 1 2 414.538 4.910 40 0 HJABLO CCCOc1cc2c(cc1C[NH2+][C@@H](Cc1cccs1)c1nccs1)OCO2 ZINC000019503846 558900890 /nfs/dbraw/zinc/90/08/90/558900890.db2.gz GSJRAIUTMVUABN-INIZCTEOSA-N 1 2 402.541 4.796 40 0 HJABLO CC(=O)Nc1ccc(Oc2cc(C)[nH+]c([C@H]3CCCN(C(=O)C4CCC4)C3)c2)cc1 ZINC000019570107 558928879 /nfs/dbraw/zinc/92/88/79/558928879.db2.gz DCACIIOCWMRHGM-IBGZPJMESA-N 1 2 407.514 4.647 40 0 HJABLO Cc1onc(C(C)C)c1C(=O)N1CCC[C@H](c2ccc(Nc3cccc(C)[nH+]3)cn2)C1 ZINC000072353373 558950236 /nfs/dbraw/zinc/95/02/36/558950236.db2.gz LYKXJPDTLPIVIC-SFHVURJKSA-N 1 2 419.529 4.968 40 0 HJABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)cc1 ZINC000072357657 558953534 /nfs/dbraw/zinc/95/35/34/558953534.db2.gz KVDBPRIGRLLVMF-XMMPIXPASA-N 1 2 419.500 4.596 40 0 HJABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)cc1 ZINC000072357657 558953536 /nfs/dbraw/zinc/95/35/36/558953536.db2.gz KVDBPRIGRLLVMF-XMMPIXPASA-N 1 2 419.500 4.596 40 0 HJABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 ZINC000072379252 558968113 /nfs/dbraw/zinc/96/81/13/558968113.db2.gz OIOBLAYTXIFWRM-FQEVSTJZSA-N 1 2 420.532 4.869 40 0 HJABLO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCc3[nH]c4cc(C)c(C)cc4[nH+]3)c2)n1 ZINC000019718357 558981627 /nfs/dbraw/zinc/98/16/27/558981627.db2.gz YUHBMRDVEBUEBG-UHFFFAOYSA-N 1 2 421.932 4.608 40 0 HJABLO CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)Nc1c(C)nn(Cc2ccc(F)cc2)c1C ZINC000019718455 558981754 /nfs/dbraw/zinc/98/17/54/558981754.db2.gz HETOGFDSRJXOPV-KRWDZBQOSA-N 1 2 419.504 4.799 40 0 HJABLO CCc1ccc(NC(=O)[C@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)cc1 ZINC000096037497 559091183 /nfs/dbraw/zinc/09/11/83/559091183.db2.gz SXDIITBMJZMHGC-XMMPIXPASA-N 1 2 402.542 4.765 40 0 HJABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)NCc1ccc(Cl)cc1)N(Cc1ccccc1)CC2 ZINC000096037510 559091279 /nfs/dbraw/zinc/09/12/79/559091279.db2.gz SHWURTLUKSFJEP-HSZRJFAPSA-N 1 2 422.960 4.533 40 0 HJABLO COc1cccc(NC(=O)N2CCC3(CCn4c(-c5ccccc5)c[nH+]c43)CC2)c1 ZINC000096080112 559094824 /nfs/dbraw/zinc/09/48/24/559094824.db2.gz SWUSEQKRNOBBJD-UHFFFAOYSA-N 1 2 402.498 4.528 40 0 HJABLO CC1=C[C@@H](CNC(=O)c2cccnc2)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000072320864 560077740 /nfs/dbraw/zinc/07/77/40/560077740.db2.gz IXNUKSAZRICLSL-ZJOUEHCJSA-N 1 2 420.532 4.924 40 0 biogenic,in-vitro HJABLO Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)sc2c1 ZINC000012692040 560783964 /nfs/dbraw/zinc/78/39/64/560783964.db2.gz LPMKVJILDYTVAH-BRWVUGGUSA-N 1 2 409.555 4.708 40 0 HJABLO COc1ccc2c(c1)[C@H](NC(=O)C1CC[NH+](c3ccc(C)cc3)CC1)CC(C)(C)O2 ZINC000219865115 568499389 /nfs/dbraw/zinc/49/93/89/568499389.db2.gz LKQZPSDIUQVEGG-JOCHJYFZSA-N 1 2 408.542 4.639 40 0 HJABLO CCOC(=O)c1cc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)ccc1Cl ZINC000219864089 568499392 /nfs/dbraw/zinc/49/93/92/568499392.db2.gz KOJXMSZNJJSGAR-UHFFFAOYSA-N 1 2 400.906 4.680 40 0 HJABLO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000223412565 568548017 /nfs/dbraw/zinc/54/80/17/568548017.db2.gz DLVGFKJUBDYUSA-MUNMYPBESA-N 1 2 418.581 4.580 40 0 HJABLO C[NH+]1CCN(C(=O)c2ccc3oc(-c4cc(Cl)c(Cl)c(Cl)c4)nc3c2)CC1 ZINC000059843000 568709339 /nfs/dbraw/zinc/70/93/39/568709339.db2.gz FDWGVZVVPRRGQQ-UHFFFAOYSA-N 1 2 424.715 4.843 40 0 HJABLO Cc1nc(C[N@@H+]2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCC[C@H]23)cs1 ZINC000257217210 568781046 /nfs/dbraw/zinc/78/10/46/568781046.db2.gz CYANAHFPBHIXNZ-BJLQDIEVSA-N 1 2 423.504 4.845 40 0 HJABLO Cc1nc(C[N@H+]2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCC[C@H]23)cs1 ZINC000257217210 568781048 /nfs/dbraw/zinc/78/10/48/568781048.db2.gz CYANAHFPBHIXNZ-BJLQDIEVSA-N 1 2 423.504 4.845 40 0 HJABLO CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccccc1)C[N@H+](Cc1ccc(Cl)cn1)CCO2 ZINC000257235987 568786459 /nfs/dbraw/zinc/78/64/59/568786459.db2.gz HAJVPLHRQYFSJO-VABKMULXSA-N 1 2 400.950 4.740 40 0 HJABLO CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccccc1)C[N@@H+](Cc1ccc(Cl)cn1)CCO2 ZINC000257235987 568786461 /nfs/dbraw/zinc/78/64/61/568786461.db2.gz HAJVPLHRQYFSJO-VABKMULXSA-N 1 2 400.950 4.740 40 0 HJABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2cccc(Nc3nc(C)c(C)s3)n2)C1 ZINC000257269678 568795634 /nfs/dbraw/zinc/79/56/34/568795634.db2.gz MQXVDVPOHAUMRE-NRFANRHFSA-N 1 2 424.570 4.789 40 0 HJABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2cccc(Nc3nc(C)c(C)s3)n2)C1 ZINC000257269678 568795636 /nfs/dbraw/zinc/79/56/36/568795636.db2.gz MQXVDVPOHAUMRE-NRFANRHFSA-N 1 2 424.570 4.789 40 0 HJABLO Cc1cccc(C[N@H+]2CCCC[C@H]2c2[nH]ncc2C(=O)N(C)Cc2ccccc2)c1 ZINC000257290270 568801414 /nfs/dbraw/zinc/80/14/14/568801414.db2.gz QCFDYOQIZZKYPI-QHCPKHFHSA-N 1 2 402.542 4.718 40 0 HJABLO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2[nH]ncc2C(=O)N(C)Cc2ccccc2)c1 ZINC000257290270 568801415 /nfs/dbraw/zinc/80/14/15/568801415.db2.gz QCFDYOQIZZKYPI-QHCPKHFHSA-N 1 2 402.542 4.718 40 0 HJABLO FC(F)(F)c1cccc(Cc2ccc([C@H]3C[N@H+](Cc4ccncc4)CCO3)nc2)c1 ZINC000257316281 568809198 /nfs/dbraw/zinc/80/91/98/568809198.db2.gz VEXXQDXSRXIEPI-JOCHJYFZSA-N 1 2 413.443 4.660 40 0 HJABLO FC(F)(F)c1cccc(Cc2ccc([C@H]3C[N@@H+](Cc4ccncc4)CCO3)nc2)c1 ZINC000257316281 568809201 /nfs/dbraw/zinc/80/92/01/568809201.db2.gz VEXXQDXSRXIEPI-JOCHJYFZSA-N 1 2 413.443 4.660 40 0 HJABLO CC[C@H](C)Nc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328964950 568970184 /nfs/dbraw/zinc/97/01/84/568970184.db2.gz BZECNOCJWCZBEB-ZDUSSCGKSA-N 1 2 415.310 4.843 40 0 HJABLO CC[C@@H](C)Nc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000328985356 568971377 /nfs/dbraw/zinc/97/13/77/568971377.db2.gz HSZONZVMSYRQPF-CYBMUJFWSA-N 1 2 415.310 4.843 40 0 HJABLO Cc1cc(Br)ccc1Nc1cc(C2CC2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329018888 568972845 /nfs/dbraw/zinc/97/28/45/568972845.db2.gz NTIFOOBIUDQCAY-QGZVFWFLSA-N 1 2 405.340 4.597 40 0 HJABLO Cc1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC(C)C)n2)cc1 ZINC000329019266 568972895 /nfs/dbraw/zinc/97/28/95/568972895.db2.gz NVQAORAPWBRQQF-UHFFFAOYSA-N 1 2 416.447 4.627 40 0 HJABLO CC[C@H](C)Nc1nc(NCc2ccccc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329031806 568973671 /nfs/dbraw/zinc/97/36/71/568973671.db2.gz QLSRYJGZCPUHFW-HNNXBMFYSA-N 1 2 411.347 4.572 40 0 HJABLO CCc1cccc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC)n1 ZINC000329071916 568976128 /nfs/dbraw/zinc/97/61/28/568976128.db2.gz ZTRFTVJUHNCOBQ-UHFFFAOYSA-N 1 2 402.420 4.542 40 0 HJABLO CC1CC[NH+]([C@@H](C(=O)Nc2nnc(-c3ccccc3F)s2)c2ccccc2)CC1 ZINC000141592151 569355084 /nfs/dbraw/zinc/35/50/84/569355084.db2.gz VSDWZDVJGDNGRV-LJQANCHMSA-N 1 2 410.518 4.756 40 0 HJABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3ccc(Cl)cc3)n2)c1 ZINC000015675606 291279468 /nfs/dbraw/zinc/27/94/68/291279468.db2.gz GMZKGQLFGUQCOL-FQEVSTJZSA-N 1 2 405.889 4.721 40 0 biogenic,in-vitro HJABLO CCc1[nH+]c2ccccc2n1C[C@H](C)C(=O)Nc1nnc(-c2ccccc2F)s1 ZINC000035322635 557692229 /nfs/dbraw/zinc/69/22/29/557692229.db2.gz IIDYOMPYRHRWRF-ZDUSSCGKSA-N 1 2 409.490 4.531 40 0 HJABLO Cc1ccc2occ(C[N@H+](CCCn3ccnc3)Cc3ccccc3F)c(=O)c2c1 ZINC000019219773 558851358 /nfs/dbraw/zinc/85/13/58/558851358.db2.gz DWDAKGVUPIFPCK-UHFFFAOYSA-N 1 2 405.473 4.530 40 0 HJABLO Cc1ccc2occ(C[N@@H+](CCCn3ccnc3)Cc3ccccc3F)c(=O)c2c1 ZINC000019219773 558851360 /nfs/dbraw/zinc/85/13/60/558851360.db2.gz DWDAKGVUPIFPCK-UHFFFAOYSA-N 1 2 405.473 4.530 40 0 HJABLO Cc1ccc2occ(CN(CCCn3cc[nH+]c3)Cc3ccccc3F)c(=O)c2c1 ZINC000019219773 558851362 /nfs/dbraw/zinc/85/13/62/558851362.db2.gz DWDAKGVUPIFPCK-UHFFFAOYSA-N 1 2 405.473 4.530 40 0 HJABLO c1csc([C@@H](Cc2ccsc2)[NH2+]Cc2ccccc2OC[C@@H]2CCCO2)n1 ZINC000019349540 558875148 /nfs/dbraw/zinc/87/51/48/558875148.db2.gz NJXPNIGAQNEPFO-RBUKOAKNSA-N 1 2 400.569 4.836 40 0 HJABLO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)cc2N1 ZINC000019451224 558889252 /nfs/dbraw/zinc/88/92/52/558889252.db2.gz NVAKIUQHADPTNX-YTQUADARSA-N 1 2 407.484 4.949 40 0 HJABLO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCC[N@H+]3Cc3cccnc3)cc2N1 ZINC000019451224 558889253 /nfs/dbraw/zinc/88/92/53/558889253.db2.gz NVAKIUQHADPTNX-YTQUADARSA-N 1 2 407.484 4.949 40 0 HJABLO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1 ZINC000019574859 558932422 /nfs/dbraw/zinc/93/24/22/558932422.db2.gz ADOTZEHONBSLPV-OMWUSAIZSA-N 1 2 424.467 4.545 40 0 HJABLO COc1ccc(OC)c(C[N@H+]2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1 ZINC000019574859 558932424 /nfs/dbraw/zinc/93/24/24/558932424.db2.gz ADOTZEHONBSLPV-OMWUSAIZSA-N 1 2 424.467 4.545 40 0 HJABLO O=c1c(C[NH+]2CCCCC2)c(-c2ccccc2)[nH]n1-c1ccc(Cl)c(Cl)c1 ZINC000019690856 558960368 /nfs/dbraw/zinc/96/03/68/558960368.db2.gz GUJOXVGJVIOLRP-QGZVFWFLSA-N 1 2 402.325 4.846 40 0 HJABLO Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3F)C2)n1 ZINC000072374733 558962687 /nfs/dbraw/zinc/96/26/87/558962687.db2.gz MDOLJJXJPSRWFF-HXUWFJFHSA-N 1 2 421.491 4.687 40 0 HJABLO Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3F)C2)n1 ZINC000072374733 558962690 /nfs/dbraw/zinc/96/26/90/558962690.db2.gz MDOLJJXJPSRWFF-HXUWFJFHSA-N 1 2 421.491 4.687 40 0 HJABLO Clc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1nnc(-c3ccsc3)o1)OCO2 ZINC000072390156 558970465 /nfs/dbraw/zinc/97/04/65/558970465.db2.gz VGHVLLPQXHFUAP-OAHLLOKOSA-N 1 2 403.891 4.907 40 0 HJABLO Clc1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1nnc(-c3ccsc3)o1)OCO2 ZINC000072390156 558970467 /nfs/dbraw/zinc/97/04/67/558970467.db2.gz VGHVLLPQXHFUAP-OAHLLOKOSA-N 1 2 403.891 4.907 40 0 HJABLO C[C@H]1CCCN(c2ncc(C[N@@H+]3CCc4nc(-c5cccc(F)c5)sc4C3)cn2)C1 ZINC000072392042 558971905 /nfs/dbraw/zinc/97/19/05/558971905.db2.gz OCGHULCGTPUGJQ-INIZCTEOSA-N 1 2 423.561 4.534 40 0 HJABLO C[C@H]1CCCN(c2ncc(C[N@H+]3CCc4nc(-c5cccc(F)c5)sc4C3)cn2)C1 ZINC000072392042 558971907 /nfs/dbraw/zinc/97/19/07/558971907.db2.gz OCGHULCGTPUGJQ-INIZCTEOSA-N 1 2 423.561 4.534 40 0 HJABLO Cc1ccc(NC(=O)[C@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)cc1C ZINC000096062720 559094290 /nfs/dbraw/zinc/09/42/90/559094290.db2.gz XDBBJNANSXPDTA-XMMPIXPASA-N 1 2 402.542 4.819 40 0 HJABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc[nH+]c2N(C(C)C)C(C)C)cc1 ZINC000072213025 559168265 /nfs/dbraw/zinc/16/82/65/559168265.db2.gz QQSXZHOOVNXUNC-OAQYLSRUSA-N 1 2 401.576 4.539 40 0 HJABLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2)Nc1cccc(Cl)c1Cl ZINC000013561632 560815727 /nfs/dbraw/zinc/81/57/27/560815727.db2.gz IMEYQTUOBKQKSG-UDQVXKKJSA-N 1 2 423.315 4.586 40 0 HJABLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2)Nc1cccc(Cl)c1Cl ZINC000013561632 560815728 /nfs/dbraw/zinc/81/57/28/560815728.db2.gz IMEYQTUOBKQKSG-UDQVXKKJSA-N 1 2 423.315 4.586 40 0 HJABLO CC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057613835 568494051 /nfs/dbraw/zinc/49/40/51/568494051.db2.gz VGRXEUYLEKFCRN-OAQYLSRUSA-N 1 2 409.484 4.585 40 0 HJABLO CC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057613835 568494052 /nfs/dbraw/zinc/49/40/52/568494052.db2.gz VGRXEUYLEKFCRN-OAQYLSRUSA-N 1 2 409.484 4.585 40 0 HJABLO Cc1ccc([NH+]2CCC(C(=O)N(C)Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000219866790 568499522 /nfs/dbraw/zinc/49/95/22/568499522.db2.gz YHEKQDGGNMWEHA-UHFFFAOYSA-N 1 2 424.932 4.573 40 0 HJABLO O=c1[nH]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@@H]2c1ccccc1F ZINC000027825104 568577225 /nfs/dbraw/zinc/57/72/25/568577225.db2.gz LZWGFHDBBNFLBM-NRFANRHFSA-O 1 2 417.489 4.541 40 0 HJABLO CC[C@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328973655 568970729 /nfs/dbraw/zinc/97/07/29/568970729.db2.gz FCCAKUXEHOIRSN-JTQLQIEISA-N 1 2 400.832 4.704 40 0 HJABLO CNc1nc(Nc2cc(Cl)ccc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329021260 568972972 /nfs/dbraw/zinc/97/29/72/568972972.db2.gz OFKVMJXBKZTHNH-UHFFFAOYSA-N 1 2 408.811 4.633 40 0 HJABLO CC[C@@H](C)Nc1nc(NCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329065353 568975230 /nfs/dbraw/zinc/97/52/30/568975230.db2.gz XQLPFBDCUFNQOV-OAHLLOKOSA-N 1 2 416.447 4.709 40 0 HJABLO Fc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)cc1 ZINC000049155482 291280040 /nfs/dbraw/zinc/28/00/40/291280040.db2.gz VWWQZFKDDGOMIA-NRFANRHFSA-N 1 2 401.445 4.670 40 0 biogenic,in-vitro HJABLO Fc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)cc1 ZINC000049155482 291280041 /nfs/dbraw/zinc/28/00/41/291280041.db2.gz VWWQZFKDDGOMIA-NRFANRHFSA-N 1 2 401.445 4.670 40 0 biogenic,in-vitro HJABLO Clc1ccccc1CN(CCCn1cc[nH+]c1)Cc1ccnn1[C@@H]1CCCCO1 ZINC000043277789 526987702 /nfs/dbraw/zinc/98/77/02/526987702.db2.gz ONOQWWURLXPNOS-QFIPXVFZSA-N 1 2 413.953 4.525 40 0 HJABLO Cc1cccn2cc(-c3cccc(NC(=O)[C@@H](c4ccc(F)cc4)[NH+](C)C)c3)nc12 ZINC000035316882 557691641 /nfs/dbraw/zinc/69/16/41/557691641.db2.gz ZTLYWVLLGDWOIV-JOCHJYFZSA-N 1 2 402.473 4.690 40 0 HJABLO CCc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)Nc1nnc(-c2ccccc2F)s1 ZINC000035322631 557692211 /nfs/dbraw/zinc/69/22/11/557692211.db2.gz IIDYOMPYRHRWRF-CYBMUJFWSA-N 1 2 409.490 4.531 40 0 HJABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 ZINC000019755794 558274111 /nfs/dbraw/zinc/27/41/11/558274111.db2.gz QAOIJBLVGHWTHG-QFIPXVFZSA-N 1 2 404.489 4.904 40 0 HJABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 ZINC000019755794 558274114 /nfs/dbraw/zinc/27/41/14/558274114.db2.gz QAOIJBLVGHWTHG-QFIPXVFZSA-N 1 2 404.489 4.904 40 0 HJABLO Cc1cc(-c2cnc(NCc3ccccc3-n3cc[nH+]c3)nc2-c2cccs2)on1 ZINC000012087407 558322272 /nfs/dbraw/zinc/32/22/72/558322272.db2.gz QIUUCLIIXYUTEL-UHFFFAOYSA-N 1 2 414.494 4.966 40 0 HJABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020451151 558365746 /nfs/dbraw/zinc/36/57/46/558365746.db2.gz QRLXHQHXXZAWJR-UHFFFAOYSA-N 1 2 422.532 4.755 40 0 HJABLO CCCc1ncc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cn1 ZINC000019525772 558907351 /nfs/dbraw/zinc/90/73/51/558907351.db2.gz PTTYWFKAYKNPKY-RUZDIDTESA-N 1 2 403.526 4.594 40 0 HJABLO CCCc1ncc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cn1 ZINC000019525772 558907352 /nfs/dbraw/zinc/90/73/52/558907352.db2.gz PTTYWFKAYKNPKY-RUZDIDTESA-N 1 2 403.526 4.594 40 0 HJABLO Cc1noc2nc(C3CC[NH+](Cc4c[nH]nc4C(C)(C)C)CC3)cc(C(F)F)c12 ZINC000019564995 558925276 /nfs/dbraw/zinc/92/52/76/558925276.db2.gz RXOPKLATLQBTRW-UHFFFAOYSA-N 1 2 403.477 4.869 40 0 HJABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)CCCc2ccccc2)C1 ZINC000072350690 558947619 /nfs/dbraw/zinc/94/76/19/558947619.db2.gz PNKOYVPHSBTRTQ-OAQYLSRUSA-N 1 2 417.557 4.515 40 0 HJABLO Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H](c2ccc(Nc3cccc(C)[nH+]3)cn2)C1 ZINC000072353372 558950231 /nfs/dbraw/zinc/95/02/31/558950231.db2.gz LYKXJPDTLPIVIC-GOSISDBHSA-N 1 2 419.529 4.968 40 0 HJABLO c1ccc(-c2cnc3c(c2)[C@@H]([NH+]2CCCC2)n2nc(-c4cccnc4)nc2S3)cc1 ZINC000072396302 558975218 /nfs/dbraw/zinc/97/52/18/558975218.db2.gz HWHHXMBTWFYQON-QFIPXVFZSA-N 1 2 412.522 4.509 40 0 HJABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)NCc1ccc(Cl)cc1)N(Cc1ccccc1)CC2 ZINC000096037511 559091180 /nfs/dbraw/zinc/09/11/80/559091180.db2.gz SHWURTLUKSFJEP-QHCPKHFHSA-N 1 2 422.960 4.533 40 0 HJABLO Cc1ccc(C)c(NC(=O)[C@@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)c1 ZINC000096037504 559091276 /nfs/dbraw/zinc/09/12/76/559091276.db2.gz XEBVNUUWXNEQQE-DEOSSOPVSA-N 1 2 402.542 4.819 40 0 HJABLO COc1ccc(NC(=S)N2CCC[C@@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)c(OC)c1 ZINC000001350143 560576729 /nfs/dbraw/zinc/57/67/29/560576729.db2.gz ZYBLZOCGCSPPMJ-MRXNPFEDSA-N 1 2 424.570 4.773 40 0 HJABLO c1csc([C@@H](c2nnnn2C2CCCC2)[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000020098287 560880470 /nfs/dbraw/zinc/88/04/70/560880470.db2.gz WBPKXTWRJCZAKT-QFIPXVFZSA-N 1 2 407.587 4.894 40 0 HJABLO CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222930318 568531458 /nfs/dbraw/zinc/53/14/58/568531458.db2.gz ATAVJQFNWSSTSC-DHIUTWEWSA-N 1 2 419.598 4.567 40 0 HJABLO O=C(CCc1ccc(Cl)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225376051 568632254 /nfs/dbraw/zinc/63/22/54/568632254.db2.gz AQUNODWNKNIFKN-QPJJXVBHSA-N 1 2 403.353 4.784 40 0 HJABLO CC(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(C2CC2)[nH+]1 ZINC000328964968 568970077 /nfs/dbraw/zinc/97/00/77/568970077.db2.gz BZQGYUJPKQYAGZ-UHFFFAOYSA-N 1 2 415.257 4.543 40 0 HJABLO COc1cccc(-c2ccc([C@@H]3C[N@H+](Cc4c(C)nn(C(C)C)c4C)CCO3)nc2)c1 ZINC000019693518 569346524 /nfs/dbraw/zinc/34/65/24/569346524.db2.gz JLVXQFVLVNWZPE-VWLOTQADSA-N 1 2 420.557 4.725 40 0 HJABLO COc1cccc(-c2ccc([C@@H]3C[N@@H+](Cc4c(C)nn(C(C)C)c4C)CCO3)nc2)c1 ZINC000019693518 569346525 /nfs/dbraw/zinc/34/65/25/569346525.db2.gz JLVXQFVLVNWZPE-VWLOTQADSA-N 1 2 420.557 4.725 40 0 HJABLO O=C(Nc1ccccc1Cl)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241801 569349651 /nfs/dbraw/zinc/34/96/51/569349651.db2.gz HTBIMBIDNCNPGX-UHFFFAOYSA-N 1 2 419.956 4.910 40 0 HJABLO CSc1ccc([C@@H](c2c3c(sc2NC(C)=O)CCCC3)[NH+]2CCOCC2)cc1 ZINC000020192252 526063938 /nfs/dbraw/zinc/06/39/38/526063938.db2.gz QOWXHZRGQCPBJC-NRFANRHFSA-N 1 2 416.612 4.729 40 0 HJABLO O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044786603 526372377 /nfs/dbraw/zinc/37/23/77/526372377.db2.gz XMYLXMCTOWJIKD-UHFFFAOYSA-N 1 2 420.365 4.901 40 0 HJABLO O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044905448 526691799 /nfs/dbraw/zinc/69/17/99/526691799.db2.gz VJAAEVFGGUJMBS-UHFFFAOYSA-N 1 2 415.468 4.580 40 0 HJABLO O=C(CCSc1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408563756 557470257 /nfs/dbraw/zinc/47/02/57/557470257.db2.gz PDVDLFDHQHNNGQ-QPJJXVBHSA-N 1 2 400.975 4.680 40 0 HJABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc[nH+]c2N(C(C)C)C(C)C)cc1 ZINC000072213026 559168238 /nfs/dbraw/zinc/16/82/38/559168238.db2.gz QQSXZHOOVNXUNC-NRFANRHFSA-N 1 2 401.576 4.539 40 0 HJABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2c[nH+]c(N3CCCCC3)c(C)c2)cc1 ZINC000072219198 559169661 /nfs/dbraw/zinc/16/96/61/559169661.db2.gz ICSNMEXSFDKLPM-JOCHJYFZSA-N 1 2 413.587 4.605 40 0 HJABLO C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)S1 ZINC000260788301 568738743 /nfs/dbraw/zinc/73/87/43/568738743.db2.gz YNDQMVXMFNNXHA-NPFVIJTESA-N 1 2 403.555 4.528 40 0 HJABLO Cc1cccnc1Nc1ccc([C@H]2C[N@H+](CCCOc3ccc(F)cc3)CCO2)nc1 ZINC000257341054 568816431 /nfs/dbraw/zinc/81/64/31/568816431.db2.gz ZIRFVUGMWUPUHT-HSZRJFAPSA-N 1 2 422.504 4.510 40 0 HJABLO Cc1cccnc1Nc1ccc([C@H]2C[N@@H+](CCCOc3ccc(F)cc3)CCO2)nc1 ZINC000257341054 568816433 /nfs/dbraw/zinc/81/64/33/568816433.db2.gz ZIRFVUGMWUPUHT-HSZRJFAPSA-N 1 2 422.504 4.510 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2ccc(-c3ccccc3F)cn2)C1 ZINC000019693597 569346530 /nfs/dbraw/zinc/34/65/30/569346530.db2.gz KWDCRIYGINSNOY-DEOSSOPVSA-N 1 2 408.521 4.855 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@H](c2ccc(-c3ccccc3F)cn2)C1 ZINC000019693597 569346531 /nfs/dbraw/zinc/34/65/31/569346531.db2.gz KWDCRIYGINSNOY-DEOSSOPVSA-N 1 2 408.521 4.855 40 0 HJABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329044936 571306158 /nfs/dbraw/zinc/30/61/58/571306158.db2.gz SYZCJUKCIKTEDY-IBGZPJMESA-N 1 2 400.885 5.109 40 0 HJABLO c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)nc1 ZINC000035425518 291280732 /nfs/dbraw/zinc/28/07/32/291280732.db2.gz LFDHUSXRCLUTGU-FQEVSTJZSA-N 1 2 405.502 4.575 40 0 biogenic,in-vitro HJABLO c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)nc1 ZINC000035425518 291280734 /nfs/dbraw/zinc/28/07/34/291280734.db2.gz LFDHUSXRCLUTGU-FQEVSTJZSA-N 1 2 405.502 4.575 40 0 biogenic,in-vitro HJABLO O=C(C[N@H+]1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1)Nc1nccs1 ZINC000072348894 526756615 /nfs/dbraw/zinc/75/66/15/526756615.db2.gz YWRAABKWAUARFQ-INIZCTEOSA-N 1 2 412.946 4.677 40 0 HJABLO O=C(C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1)Nc1nccs1 ZINC000072348894 526756620 /nfs/dbraw/zinc/75/66/20/526756620.db2.gz YWRAABKWAUARFQ-INIZCTEOSA-N 1 2 412.946 4.677 40 0 HJABLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000035313966 557689594 /nfs/dbraw/zinc/68/95/94/557689594.db2.gz YWZYZDNZMWPBGG-UHFFFAOYSA-N 1 2 419.569 4.519 40 0 HJABLO Clc1ccc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012143409 558335445 /nfs/dbraw/zinc/33/54/45/558335445.db2.gz GFZHJJBPBWWFPC-UHFFFAOYSA-N 1 2 405.845 4.528 40 0 HJABLO O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccccc1Cn1cc[nH+]c1 ZINC000019349679 558875172 /nfs/dbraw/zinc/87/51/72/558875172.db2.gz ZHNZTCFXDIZZJH-UHFFFAOYSA-N 1 2 408.914 4.884 40 0 HJABLO Cn1ccnc1C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358137 558953903 /nfs/dbraw/zinc/95/39/03/558953903.db2.gz ILTPZLXLKLKKJJ-FQEVSTJZSA-N 1 2 400.448 4.762 40 0 HJABLO Cn1ccnc1C[N@H+]1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358137 558953906 /nfs/dbraw/zinc/95/39/06/558953906.db2.gz ILTPZLXLKLKKJJ-FQEVSTJZSA-N 1 2 400.448 4.762 40 0 HJABLO Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3F)C2)n1 ZINC000072374734 558962645 /nfs/dbraw/zinc/96/26/45/558962645.db2.gz MDOLJJXJPSRWFF-FQEVSTJZSA-N 1 2 421.491 4.687 40 0 HJABLO Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3F)C2)n1 ZINC000072374734 558962649 /nfs/dbraw/zinc/96/26/49/558962649.db2.gz MDOLJJXJPSRWFF-FQEVSTJZSA-N 1 2 421.491 4.687 40 0 HJABLO Cc1ccc2[nH]c(Cc3ccc(NC(=O)c4cc(=O)n(C)c5ccccc45)cc3)[nH+]c2c1 ZINC000019715090 558975569 /nfs/dbraw/zinc/97/55/69/558975569.db2.gz GKUABOXXRDBMDH-UHFFFAOYSA-N 1 2 422.488 4.566 40 0 HJABLO O=C(CSCc1c(Cl)cccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409179815 560687790 /nfs/dbraw/zinc/68/77/90/560687790.db2.gz TYZNUJNQAVUBLQ-UHFFFAOYSA-N 1 2 409.382 4.571 40 0 HJABLO CCOc1ccc([C@H]([NH3+])c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)cc1OCC ZINC000095534608 568635710 /nfs/dbraw/zinc/63/57/10/568635710.db2.gz PMGHPWFBXWIQHQ-QFIPXVFZSA-N 1 2 424.545 4.527 40 0 HJABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(Cc4cccc(Cl)c4)cc(C)n3)C2)c(C)n1 ZINC000257204752 568777489 /nfs/dbraw/zinc/77/74/89/568777489.db2.gz AWEKIQAHRGNFAX-DEOSSOPVSA-N 1 2 424.976 4.733 40 0 HJABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(Cc4cccc(Cl)c4)cc(C)n3)C2)c(C)n1 ZINC000257204752 568777491 /nfs/dbraw/zinc/77/74/91/568777491.db2.gz AWEKIQAHRGNFAX-DEOSSOPVSA-N 1 2 424.976 4.733 40 0 HJABLO COC(=O)c1ccc2c(c1)CCN(c1cc(C)[nH+]c(Nc3cccc(Cl)c3)n1)C2 ZINC000328982913 568971150 /nfs/dbraw/zinc/97/11/50/568971150.db2.gz HDQUNQMRHJXUJB-UHFFFAOYSA-N 1 2 408.889 4.531 40 0 HJABLO CCNc1nc(Nc2cc(C)ccc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328984496 568971456 /nfs/dbraw/zinc/97/14/56/568971456.db2.gz HNJDIUZPCAOJFJ-UHFFFAOYSA-N 1 2 402.420 4.678 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2ccc(Cc3ccc(C)cc3)cn2)C1 ZINC000019692289 569346036 /nfs/dbraw/zinc/34/60/36/569346036.db2.gz IOFYOVBXUWONAT-SANMLTNESA-N 1 2 418.585 4.949 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@H](c2ccc(Cc3ccc(C)cc3)cn2)C1 ZINC000019692289 569346037 /nfs/dbraw/zinc/34/60/37/569346037.db2.gz IOFYOVBXUWONAT-SANMLTNESA-N 1 2 418.585 4.949 40 0 HJABLO CC(C)(C)Nc1nc(NCc2ccco2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328993043 571304779 /nfs/dbraw/zinc/30/47/79/571304779.db2.gz IYCGSGVZLWPQIV-UHFFFAOYSA-N 1 2 406.408 5.458 40 0 HJABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000328985272 571305920 /nfs/dbraw/zinc/30/59/20/571305920.db2.gz HRTKBLKZDGOBHJ-LJQANCHMSA-N 1 2 416.447 5.335 40 0 HJABLO Fc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3ccccc3)n2)cc1Cl ZINC000015707251 291280037 /nfs/dbraw/zinc/28/00/37/291280037.db2.gz KCPIFPKMLIMJLK-IBGZPJMESA-N 1 2 409.852 4.552 40 0 biogenic,in-vitro HJABLO CC(=O)[C@H](C[NH+](C(C)C)C(C)C)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O ZINC000031841670 558752961 /nfs/dbraw/zinc/75/29/61/558752961.db2.gz OUEQETVIEFWKSK-GMAHTHKFSA-N 1 2 421.537 4.955 40 0 HJABLO CSc1ccc([C@H](c2c3c(sc2NC(C)=O)CCCC3)[NH+]2CCOCC2)cc1 ZINC000020192249 558756263 /nfs/dbraw/zinc/75/62/63/558756263.db2.gz QOWXHZRGQCPBJC-OAQYLSRUSA-N 1 2 416.612 4.729 40 0 HJABLO CC[C@@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000038771715 558815202 /nfs/dbraw/zinc/81/52/02/558815202.db2.gz DZKLVDRUEJEOAK-QXJBOHEXSA-N 1 2 414.549 4.855 40 0 HJABLO Cc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000019286758 558860559 /nfs/dbraw/zinc/86/05/59/558860559.db2.gz KVECPLFORZMVSL-MJGOQNOKSA-N 1 2 407.514 4.567 40 0 HJABLO Cc1[nH+]c2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000019286760 558860717 /nfs/dbraw/zinc/86/07/17/558860717.db2.gz KVECPLFORZMVSL-PKOBYXMFSA-N 1 2 407.514 4.567 40 0 HJABLO CCCc1ncc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cn1 ZINC000019525771 558907260 /nfs/dbraw/zinc/90/72/60/558907260.db2.gz PTTYWFKAYKNPKY-VWLOTQADSA-N 1 2 403.526 4.594 40 0 HJABLO CCCc1ncc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cn1 ZINC000019525771 558907262 /nfs/dbraw/zinc/90/72/62/558907262.db2.gz PTTYWFKAYKNPKY-VWLOTQADSA-N 1 2 403.526 4.594 40 0 HJABLO Cc1cc(Oc2ccc(N(C)C)cc2)cc([C@@H]2CCCN(C(=O)c3cccnc3)C2)[nH+]1 ZINC000019570301 558929135 /nfs/dbraw/zinc/92/91/35/558929135.db2.gz DPQKEEZEKHNMTB-HXUWFJFHSA-N 1 2 416.525 4.663 40 0 HJABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 ZINC000072357660 558953465 /nfs/dbraw/zinc/95/34/65/558953465.db2.gz NHUWVTYEMDRRID-DEOSSOPVSA-N 1 2 419.500 4.596 40 0 HJABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 ZINC000072357660 558953469 /nfs/dbraw/zinc/95/34/69/558953469.db2.gz NHUWVTYEMDRRID-DEOSSOPVSA-N 1 2 419.500 4.596 40 0 HJABLO COc1ccccc1C[C@H](C)Nc1cc(Cn2c(C)nc3ccccc32)[nH+]c(C)n1 ZINC000072373230 558961114 /nfs/dbraw/zinc/96/11/14/558961114.db2.gz DRPDUAAIZNPDCM-INIZCTEOSA-N 1 2 401.514 4.543 40 0 HJABLO CCOC(=O)C[NH+]1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585263144 559111856 /nfs/dbraw/zinc/11/18/56/559111856.db2.gz OOYCXAVKVGLNDY-UHFFFAOYSA-N 1 2 422.554 4.691 40 0 HJABLO O=C(C[NH+]1CCCCC1)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2 ZINC000004953246 560617185 /nfs/dbraw/zinc/61/71/85/560617185.db2.gz SZXSDGDWSTXQAF-UHFFFAOYSA-N 1 2 416.974 4.936 40 0 HJABLO CCc1ccc(C[N@H+](Cc2cccnc2)Cc2cnc(N3CCCCC3)nc2)cc1 ZINC000013569119 560814238 /nfs/dbraw/zinc/81/42/38/560814238.db2.gz OONSHWNUFYZMQB-UHFFFAOYSA-N 1 2 401.558 4.627 40 0 HJABLO CCc1ccc(C[N@@H+](Cc2cccnc2)Cc2cnc(N3CCCCC3)nc2)cc1 ZINC000013569119 560814239 /nfs/dbraw/zinc/81/42/39/560814239.db2.gz OONSHWNUFYZMQB-UHFFFAOYSA-N 1 2 401.558 4.627 40 0 HJABLO CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222975185 568532810 /nfs/dbraw/zinc/53/28/10/568532810.db2.gz PBCWRHUYGRIPPB-DHIUTWEWSA-N 1 2 419.598 4.711 40 0 HJABLO C[N@H+](CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1)Cc1ccccc1F ZINC000257218747 568781577 /nfs/dbraw/zinc/78/15/77/568781577.db2.gz DEHDIYLYPNBTTJ-QHCPKHFHSA-N 1 2 421.516 4.590 40 0 HJABLO C[N@@H+](CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1)Cc1ccccc1F ZINC000257218747 568781578 /nfs/dbraw/zinc/78/15/78/568781578.db2.gz DEHDIYLYPNBTTJ-QHCPKHFHSA-N 1 2 421.516 4.590 40 0 HJABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(Cc4ccccc4Cl)cc(C)n3)C2)c(C)n1 ZINC000257268231 568795243 /nfs/dbraw/zinc/79/52/43/568795243.db2.gz MKTPYVZSPYEMRB-XMMPIXPASA-N 1 2 424.976 4.733 40 0 HJABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(Cc4ccccc4Cl)cc(C)n3)C2)c(C)n1 ZINC000257268231 568795244 /nfs/dbraw/zinc/79/52/44/568795244.db2.gz MKTPYVZSPYEMRB-XMMPIXPASA-N 1 2 424.976 4.733 40 0 HJABLO C[C@H](CCc1ccccc1Cl)Nc1cc(-c2cc(C(C)(C)C)nn2C)[nH+]c(N)n1 ZINC000257275003 568797117 /nfs/dbraw/zinc/79/71/17/568797117.db2.gz NNOUBRGOQIMMEB-CQSZACIVSA-N 1 2 412.969 4.843 40 0 HJABLO Cc1cccnc1Nc1ccc([C@@H]2C[N@H+](CCCOc3ccc(F)cc3)CCO2)nc1 ZINC000257341055 568816506 /nfs/dbraw/zinc/81/65/06/568816506.db2.gz ZIRFVUGMWUPUHT-QHCPKHFHSA-N 1 2 422.504 4.510 40 0 HJABLO Cc1cccnc1Nc1ccc([C@@H]2C[N@@H+](CCCOc3ccc(F)cc3)CCO2)nc1 ZINC000257341055 568816507 /nfs/dbraw/zinc/81/65/07/568816507.db2.gz ZIRFVUGMWUPUHT-QHCPKHFHSA-N 1 2 422.504 4.510 40 0 HJABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H](Nc2ccccc2)[C@H]1CC(C)C ZINC000257342185 568816686 /nfs/dbraw/zinc/81/66/86/568816686.db2.gz ZNLRQDKGAOZZRK-FYYLOGMGSA-N 1 2 404.558 4.703 40 0 HJABLO CC[C@H](C)Nc1nc(NCc2cccc(Br)c2)cc(-c2ccccc2)[nH+]1 ZINC000328963427 568969967 /nfs/dbraw/zinc/96/99/67/568969967.db2.gz BNKJACVXNZJLJY-HNNXBMFYSA-N 1 2 411.347 4.572 40 0 HJABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)ccc1Br ZINC000329020309 568973126 /nfs/dbraw/zinc/97/31/26/568973126.db2.gz OALWWERHUBZIHH-QGZVFWFLSA-N 1 2 405.340 4.597 40 0 HJABLO Cc1nc(Nc2ccccc2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]1 ZINC000329031771 568973761 /nfs/dbraw/zinc/97/37/61/568973761.db2.gz QLGYCZPONTXWOY-UHFFFAOYSA-N 1 2 400.404 4.990 40 0 HJABLO CCCc1[nH+]c2ccccc2n1CC(=O)N(c1c(C)cccc1CC)[C@@H](C)COC ZINC000001470656 557269512 /nfs/dbraw/zinc/26/95/12/557269512.db2.gz CCHSEWZHECKFGV-IBGZPJMESA-N 1 2 407.558 4.928 40 0 HJABLO CCOC(=O)c1c[nH+]c2cc3c(cc2c1Nc1cccc(C(F)(F)F)c1)OCO3 ZINC000001586154 557274462 /nfs/dbraw/zinc/27/44/62/557274462.db2.gz DVBYONYILCHYST-UHFFFAOYSA-N 1 2 404.344 4.903 40 0 HJABLO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408705533 557731569 /nfs/dbraw/zinc/73/15/69/557731569.db2.gz ICGYRMRTVWCWKY-OGECGYFKSA-N 1 2 406.570 4.609 40 0 HJABLO CCCN1CN(c2ccccc2)C2=N[C@@H](c3ccccc3)[NH+]=C(Nc3ccccc3)N2C1 ZINC000030874478 558743731 /nfs/dbraw/zinc/74/37/31/558743731.db2.gz DUEPNJDZFRHVAJ-DEOSSOPVSA-N 1 2 424.552 4.972 40 0 HJABLO COCc1ccc(C(=O)N2CC[C@H](c3[nH+]c(C4CCC4)n4c(C)csc34)C2)cc1 ZINC000019240531 558859221 /nfs/dbraw/zinc/85/92/21/558859221.db2.gz MGTXCGSTIQFADK-IBGZPJMESA-N 1 2 409.555 4.748 40 0 HJABLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1cnc(C(C)C)nc1)CC2 ZINC000019454114 558891317 /nfs/dbraw/zinc/89/13/17/558891317.db2.gz GUQVJHXLNYGNNZ-XMMPIXPASA-N 1 2 403.526 4.765 40 0 HJABLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1cnc(C(C)C)nc1)CC2 ZINC000019454114 558891318 /nfs/dbraw/zinc/89/13/18/558891318.db2.gz GUQVJHXLNYGNNZ-XMMPIXPASA-N 1 2 403.526 4.765 40 0 HJABLO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3c[nH]nc3C(C)(C)C)cc2N1 ZINC000019520774 558902079 /nfs/dbraw/zinc/90/20/79/558902079.db2.gz RBCCALCZSYUCQT-DJIMGWMZSA-N 1 2 424.515 4.938 40 0 HJABLO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3c[nH]nc3C(C)(C)C)cc2N1 ZINC000019520774 558902082 /nfs/dbraw/zinc/90/20/82/558902082.db2.gz RBCCALCZSYUCQT-DJIMGWMZSA-N 1 2 424.515 4.938 40 0 HJABLO CCOCc1cc(C[N@@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)ccc1OC ZINC000019531173 558911749 /nfs/dbraw/zinc/91/17/49/558911749.db2.gz TXYUFFLDHWZDGK-UHFFFAOYSA-N 1 2 411.477 4.661 40 0 HJABLO CCOCc1cc(C[N@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)ccc1OC ZINC000019531173 558911751 /nfs/dbraw/zinc/91/17/51/558911751.db2.gz TXYUFFLDHWZDGK-UHFFFAOYSA-N 1 2 411.477 4.661 40 0 HJABLO COc1ccc(OC)c(C[NH+]2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c1 ZINC000019565008 558925142 /nfs/dbraw/zinc/92/51/42/558925142.db2.gz RCIRNMOEHKPZTG-UHFFFAOYSA-N 1 2 417.456 4.866 40 0 HJABLO COc1cccc(C[NH+]2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c1OC ZINC000019565064 558925324 /nfs/dbraw/zinc/92/53/24/558925324.db2.gz HBTJLUIHIQXSQQ-UHFFFAOYSA-N 1 2 417.456 4.866 40 0 HJABLO COc1ccccc1C[C@@H](C)Nc1cc(Cn2c(C)nc3ccccc32)[nH+]c(C)n1 ZINC000072373231 558961096 /nfs/dbraw/zinc/96/10/96/558961096.db2.gz DRPDUAAIZNPDCM-MRXNPFEDSA-N 1 2 401.514 4.543 40 0 HJABLO Cc1cc(-c2ccc(N)[nH+]c2)cc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)n1 ZINC000019694753 558963380 /nfs/dbraw/zinc/96/33/80/558963380.db2.gz AHRSNGSQWBBBGV-UHFFFAOYSA-N 1 2 418.516 4.512 40 0 HJABLO CC(C)c1[nH+]ccn1-c1cccc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000072378522 558967456 /nfs/dbraw/zinc/96/74/56/558967456.db2.gz VFFMEBREEZYFLM-UHFFFAOYSA-N 1 2 402.542 4.730 40 0 HJABLO Cc1cccc(NC(=O)[C@@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)c1C ZINC000096037506 559091196 /nfs/dbraw/zinc/09/11/96/559091196.db2.gz GMYNCBZSDRQDRS-DEOSSOPVSA-N 1 2 402.542 4.819 40 0 HJABLO Cc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)c(C)c2)c(C)c1 ZINC000001346423 560576339 /nfs/dbraw/zinc/57/63/39/560576339.db2.gz CEXOEWXZJXFZLW-UHFFFAOYSA-N 1 2 417.538 4.780 40 0 HJABLO COC(=O)c1ccccc1NC(=S)N1CCC[C@@H](c2[nH]c3cc(C)c(C)cc3[nH+]2)C1 ZINC000001350152 560576679 /nfs/dbraw/zinc/57/66/79/560576679.db2.gz MRPKHUOBZREDLV-MRXNPFEDSA-N 1 2 422.554 4.543 40 0 HJABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000408960085 560657660 /nfs/dbraw/zinc/65/76/60/560657660.db2.gz JFEKCDUOWSLYBO-QNGOZBTKSA-N 1 2 403.507 4.780 40 0 HJABLO COc1cccc(-c2cc3nc(-c4ccccc4)cc(NCCCn4cc[nH+]c4)n3n2)c1 ZINC000013562758 560816079 /nfs/dbraw/zinc/81/60/79/560816079.db2.gz QMNLDCZUSDMYKP-UHFFFAOYSA-N 1 2 424.508 4.771 40 0 HJABLO FC(F)(F)c1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)ccc1Cl ZINC000328991934 568971578 /nfs/dbraw/zinc/97/15/78/568971578.db2.gz ITEWEDWAWHZNMW-UHFFFAOYSA-N 1 2 404.823 4.978 40 0 HJABLO COc1cc2c(cc1OC)CN(c1cc(Nc3ccccc3)[nH+]c(C3CC3)n1)CC2 ZINC000329021362 568973144 /nfs/dbraw/zinc/97/31/44/568973144.db2.gz OGQZWBZVXUIUEO-UHFFFAOYSA-N 1 2 402.498 4.678 40 0 HJABLO COc1cc2c(cc1OC)CN(c1cc(Nc3ccccc3)nc(C3CC3)[nH+]1)CC2 ZINC000329021362 568973145 /nfs/dbraw/zinc/97/31/45/568973145.db2.gz OGQZWBZVXUIUEO-UHFFFAOYSA-N 1 2 402.498 4.678 40 0 HJABLO Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000329023854 568973339 /nfs/dbraw/zinc/97/33/39/568973339.db2.gz OVNUCDJQEQOUEJ-UHFFFAOYSA-N 1 2 409.331 4.685 40 0 HJABLO CC[C@@H](C)Nc1nc(NCc2ccccc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329031808 568973742 /nfs/dbraw/zinc/97/37/42/568973742.db2.gz QLSRYJGZCPUHFW-OAHLLOKOSA-N 1 2 411.347 4.572 40 0 HJABLO FC(F)(F)c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c(C(F)(F)F)c1 ZINC000329033322 568973806 /nfs/dbraw/zinc/97/38/06/568973806.db2.gz QTQDYOJGFOBTII-UHFFFAOYSA-N 1 2 402.342 4.553 40 0 HJABLO c1ccc(CC2CC[NH+]([C@H](c3nnnn3C3CCCCC3)c3cccnc3)CC2)cc1 ZINC000004395480 569051785 /nfs/dbraw/zinc/05/17/85/569051785.db2.gz KLNUTRMSEYXXJB-DEOSSOPVSA-N 1 2 416.573 4.617 40 0 HJABLO O=C(COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccc(Cl)cc1 ZINC000008433904 569340985 /nfs/dbraw/zinc/34/09/85/569340985.db2.gz RPYDQPZFAYTJBS-UHFFFAOYSA-N 1 2 422.912 4.524 40 0 HJABLO CC(C)[C@H](CO)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000328985271 571306138 /nfs/dbraw/zinc/30/61/38/571306138.db2.gz HRTKBLKZDGOBHJ-IBGZPJMESA-N 1 2 416.447 5.335 40 0 HJABLO Cc1ccc2nc(Cc3ccc(NC(=O)[C@H](c4ccc(F)cc4)[NH+](C)C)cc3)[nH]c2c1 ZINC000035316880 557691656 /nfs/dbraw/zinc/69/16/56/557691656.db2.gz NXYYCBBRVLONLB-DEOSSOPVSA-N 1 2 416.500 4.843 40 0 HJABLO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019755045 558274048 /nfs/dbraw/zinc/27/40/48/558274048.db2.gz RPVAAWGJVJAGOP-NRFANRHFSA-N 1 2 408.452 4.653 40 0 HJABLO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019755045 558274049 /nfs/dbraw/zinc/27/40/49/558274049.db2.gz RPVAAWGJVJAGOP-NRFANRHFSA-N 1 2 408.452 4.653 40 0 HJABLO Cc1c(C)n(C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc12 ZINC000037100486 558504897 /nfs/dbraw/zinc/50/48/97/558504897.db2.gz UVRMVSNIHLNRGM-UHFFFAOYSA-N 1 2 415.459 4.739 40 0 HJABLO CCc1[nH+]c2ccccc2n1C[C@H](C)C(=O)N[C@H](c1cccs1)c1ccncc1 ZINC000019523274 558904367 /nfs/dbraw/zinc/90/43/67/558904367.db2.gz QSQYNNAPJALDIQ-AOMKIAJQSA-N 1 2 404.539 4.597 40 0 HJABLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(Nc2ccccn2)cn1)Nc1ccc2ncccc2c1 ZINC000072353206 558949910 /nfs/dbraw/zinc/94/99/10/558949910.db2.gz BAVQKCOVGJHRIH-QHCPKHFHSA-N 1 2 424.508 4.544 40 0 HJABLO O=C(C[N@H+]1CCC[C@H]1c1ccc(Nc2ccccn2)cn1)Nc1ccc2ncccc2c1 ZINC000072353206 558949914 /nfs/dbraw/zinc/94/99/14/558949914.db2.gz BAVQKCOVGJHRIH-QHCPKHFHSA-N 1 2 424.508 4.544 40 0 HJABLO Cc1cc(O[C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc(C)c1Cl ZINC000014401331 560845176 /nfs/dbraw/zinc/84/51/76/560845176.db2.gz UUAFLVFVJMDZHF-OSICKASQSA-N 1 2 412.961 4.582 40 0 HJABLO CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc([NH+](C)C)cc3)N21 ZINC000222705767 568524285 /nfs/dbraw/zinc/52/42/85/568524285.db2.gz CKSCOSJHZYSXLO-NLSFWIRASA-N 1 2 417.582 4.918 40 0 HJABLO O=C(c1cc2sc(-c3ccccc3)cc2[nH]1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000026456245 568549635 /nfs/dbraw/zinc/54/96/35/568549635.db2.gz UQNPTCIVAJYCRT-UHFFFAOYSA-N 1 2 419.525 4.994 40 0 HJABLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000224000857 568565737 /nfs/dbraw/zinc/56/57/37/568565737.db2.gz VIHYKMDORTXYHL-NJTIBFSMSA-N 1 2 406.570 4.743 40 0 HJABLO CCOc1ccc([C@@H]([NH3+])c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)cc1OCC ZINC000095534609 568635912 /nfs/dbraw/zinc/63/59/12/568635912.db2.gz PMGHPWFBXWIQHQ-JOCHJYFZSA-N 1 2 424.545 4.527 40 0 HJABLO CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCCn3cc[nH+]c3)c2)cc1 ZINC000225521659 568646684 /nfs/dbraw/zinc/64/66/84/568646684.db2.gz DHICWRLCJBPXTG-UHFFFAOYSA-N 1 2 420.582 4.788 40 0 HJABLO FC(F)(F)Oc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1Cl ZINC000328967227 568970246 /nfs/dbraw/zinc/97/02/46/568970246.db2.gz CRJXCIXZULSIAV-UHFFFAOYSA-N 1 2 412.843 4.848 40 0 HJABLO Cc1cc(Br)ccc1Nc1cc(C2CC2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329018885 568972849 /nfs/dbraw/zinc/97/28/49/568972849.db2.gz NTIFOOBIUDQCAY-KRWDZBQOSA-N 1 2 405.340 4.597 40 0 HJABLO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)c(C)c1 ZINC000020241792 569349584 /nfs/dbraw/zinc/34/95/84/569349584.db2.gz MWRBIZIRLGZGDA-UHFFFAOYSA-N 1 2 413.565 4.874 40 0 HJABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329044938 571305889 /nfs/dbraw/zinc/30/58/89/571305889.db2.gz SYZCJUKCIKTEDY-LJQANCHMSA-N 1 2 400.885 5.109 40 0 HJABLO O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000044901492 527023084 /nfs/dbraw/zinc/02/30/84/527023084.db2.gz GAQGGLKPGDXWPK-UHFFFAOYSA-N 1 2 406.338 4.729 40 0 HJABLO Cc1ccn2cc(-c3cccc(NC(=O)[C@@H](c4ccc(F)cc4)[NH+](C)C)c3)nc2c1 ZINC000035316886 557691581 /nfs/dbraw/zinc/69/15/81/557691581.db2.gz ODYUYJGAOXCPJR-HSZRJFAPSA-N 1 2 402.473 4.690 40 0 HJABLO COc1ccccc1C[N@@H+](Cc1coc2ccc(Cl)cc2c1=O)C[C@@H]1CCCO1 ZINC000012187557 558346653 /nfs/dbraw/zinc/34/66/53/558346653.db2.gz ZAGNIOJFJWNVDZ-IBGZPJMESA-N 1 2 413.901 4.636 40 0 HJABLO COc1ccccc1C[N@H+](Cc1coc2ccc(Cl)cc2c1=O)C[C@@H]1CCCO1 ZINC000012187557 558346654 /nfs/dbraw/zinc/34/66/54/558346654.db2.gz ZAGNIOJFJWNVDZ-IBGZPJMESA-N 1 2 413.901 4.636 40 0 HJABLO CC(=O)[C@@H](C[NH+](C(C)C)C(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O ZINC000031841665 558752998 /nfs/dbraw/zinc/75/29/98/558752998.db2.gz OUEQETVIEFWKSK-FYYLOGMGSA-N 1 2 421.537 4.955 40 0 HJABLO C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000038855991 558819236 /nfs/dbraw/zinc/81/92/36/558819236.db2.gz JGEALQVEDVUTNQ-LJQANCHMSA-N 1 2 424.504 4.675 40 0 HJABLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)cn1 ZINC000019083336 558840487 /nfs/dbraw/zinc/84/04/87/558840487.db2.gz GLIYEULSAYDNTI-FGTMMUONSA-N 1 2 424.515 4.678 40 0 HJABLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)cn1 ZINC000019083336 558840489 /nfs/dbraw/zinc/84/04/89/558840489.db2.gz GLIYEULSAYDNTI-FGTMMUONSA-N 1 2 424.515 4.678 40 0 HJABLO CC(C)(C)OC(=O)N1CC[C@@H](Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)C1 ZINC000050861100 558853789 /nfs/dbraw/zinc/85/37/89/558853789.db2.gz SISOIGGGBXCPOY-GOSISDBHSA-N 1 2 410.493 4.645 40 0 HJABLO c1csc([C@H](Cc2ccsc2)[NH2+]Cc2ccccc2OC[C@H]2CCCO2)n1 ZINC000019349533 558875225 /nfs/dbraw/zinc/87/52/25/558875225.db2.gz NJXPNIGAQNEPFO-MOPGFXCFSA-N 1 2 400.569 4.836 40 0 HJABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000019719281 558983069 /nfs/dbraw/zinc/98/30/69/558983069.db2.gz YDBNHXJHTLKZNI-NRFANRHFSA-N 1 2 419.525 4.650 40 0 HJABLO CCc1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(C)c(C)c1 ZINC000001346422 560576398 /nfs/dbraw/zinc/57/63/98/560576398.db2.gz WABXZOAARHDLCG-UHFFFAOYSA-N 1 2 417.538 4.726 40 0 HJABLO CCOc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000004966659 560621698 /nfs/dbraw/zinc/62/16/98/560621698.db2.gz PPDVKLIJLNGPMY-IBGZPJMESA-N 1 2 408.542 4.624 40 0 HJABLO Clc1cccc(/N=c2\scc(-c3cccs3)n2CCC[NH+]2CCOCC2)c1 ZINC000005299012 568443164 /nfs/dbraw/zinc/44/31/64/568443164.db2.gz IOYFOYCAQLZMCA-XDOYNYLZSA-N 1 2 420.003 4.886 40 0 HJABLO Fc1cccc(Nc2nc(N3CCCC3)nc3c2C[N@H+](Cc2ccccc2)CC3)c1 ZINC000057774612 568497415 /nfs/dbraw/zinc/49/74/15/568497415.db2.gz FDXGZUJLAFKEAT-UHFFFAOYSA-N 1 2 403.505 4.518 40 0 HJABLO Fc1cccc(Nc2nc(N3CCCC3)nc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000057774612 568497416 /nfs/dbraw/zinc/49/74/16/568497416.db2.gz FDXGZUJLAFKEAT-UHFFFAOYSA-N 1 2 403.505 4.518 40 0 HJABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H](Cc2cccc3cccnc32)CC1 ZINC000257230316 568785032 /nfs/dbraw/zinc/78/50/32/568785032.db2.gz GBSDVZDSLQFCLG-NRFANRHFSA-N 1 2 424.548 4.965 40 0 HJABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@@H](Nc2cccc(F)c2)[C@@H](CC(C)C)C1 ZINC000257288959 568801110 /nfs/dbraw/zinc/80/11/10/568801110.db2.gz PWKSSTKLDTXNJR-SIKLNZKXSA-N 1 2 422.548 4.700 40 0 HJABLO CC[C@@H](C)Nc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328964949 568970200 /nfs/dbraw/zinc/97/02/00/568970200.db2.gz BZECNOCJWCZBEB-CYBMUJFWSA-N 1 2 415.310 4.843 40 0 HJABLO CC[C@H](C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328981172 568970996 /nfs/dbraw/zinc/97/09/96/568970996.db2.gz GRUOTAXBRZVZBL-AWEZNQCLSA-N 1 2 402.420 4.840 40 0 HJABLO FC(F)(F)Sc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c1 ZINC000329063395 568975165 /nfs/dbraw/zinc/97/51/65/568975165.db2.gz XDVIXBJGZGALEA-UHFFFAOYSA-N 1 2 402.445 4.917 40 0 HJABLO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1C ZINC000020241797 569349587 /nfs/dbraw/zinc/34/95/87/569349587.db2.gz JQKHYQVSWHIGJN-UHFFFAOYSA-N 1 2 413.565 4.874 40 0 HJABLO COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(-n3cc[nH+]c3C(C)C)n2)cc1 ZINC000072378928 523918507 /nfs/dbraw/zinc/91/85/07/523918507.db2.gz JAHNYOMFMQTTQC-JOCHJYFZSA-N 1 2 418.541 4.696 40 0 HJABLO O=C(NC1CCCCC1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020503179 558381070 /nfs/dbraw/zinc/38/10/70/558381070.db2.gz YTYAPVGYPPCNTA-UHFFFAOYSA-N 1 2 413.512 4.714 40 0 HJABLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)cn1 ZINC000019083338 558840406 /nfs/dbraw/zinc/84/04/06/558840406.db2.gz GLIYEULSAYDNTI-OKZBNKHCSA-N 1 2 424.515 4.678 40 0 HJABLO Cn1cc(C[N@H+]2CCCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)cn1 ZINC000019083338 558840407 /nfs/dbraw/zinc/84/04/07/558840407.db2.gz GLIYEULSAYDNTI-OKZBNKHCSA-N 1 2 424.515 4.678 40 0 HJABLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1cnc(C(C)C)nc1)CC2 ZINC000019454112 558891308 /nfs/dbraw/zinc/89/13/08/558891308.db2.gz GUQVJHXLNYGNNZ-DEOSSOPVSA-N 1 2 403.526 4.765 40 0 HJABLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1cnc(C(C)C)nc1)CC2 ZINC000019454112 558891309 /nfs/dbraw/zinc/89/13/09/558891309.db2.gz GUQVJHXLNYGNNZ-DEOSSOPVSA-N 1 2 403.526 4.765 40 0 HJABLO C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3c[nH]nc3C(C)(C)C)cc2N1 ZINC000019574853 558932359 /nfs/dbraw/zinc/93/23/59/558932359.db2.gz HKTSLHKQSKOYDU-DAXOMENPSA-N 1 2 410.488 4.548 40 0 HJABLO C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3c[nH]nc3C(C)(C)C)cc2N1 ZINC000019574853 558932362 /nfs/dbraw/zinc/93/23/62/558932362.db2.gz HKTSLHKQSKOYDU-DAXOMENPSA-N 1 2 410.488 4.548 40 0 HJABLO O=C(CSCc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000059323033 558934034 /nfs/dbraw/zinc/93/40/34/558934034.db2.gz YRBZKYXCUHEXAH-UHFFFAOYSA-N 1 2 409.382 4.571 40 0 HJABLO c1ccc(-c2cnc3c(c2)[C@H]([NH+]2CCCC2)n2nc(-c4cccnc4)nc2S3)cc1 ZINC000072396303 558975257 /nfs/dbraw/zinc/97/52/57/558975257.db2.gz HWHHXMBTWFYQON-JOCHJYFZSA-N 1 2 412.522 4.509 40 0 HJABLO Cc1ccc2[nH]c(Cc3ccc(NC(=O)c4cccc5c(=O)cc(C)[nH]c45)cc3)[nH+]c2c1 ZINC000019719139 558982905 /nfs/dbraw/zinc/98/29/05/558982905.db2.gz XGGZTDWFFUSOBQ-UHFFFAOYSA-N 1 2 422.488 4.864 40 0 HJABLO Cn1c(CCc2ccc(NCc3cc4ccccc4[nH]c3=O)cc2)[nH+]c2ccccc21 ZINC000013561304 560815745 /nfs/dbraw/zinc/81/57/45/560815745.db2.gz IHAJGYVATNGCPC-UHFFFAOYSA-N 1 2 408.505 4.812 40 0 HJABLO O=C(c1cc(Cl)ccc1OCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000219763056 568498189 /nfs/dbraw/zinc/49/81/89/568498189.db2.gz UZBLQQLQVRYUPA-UHFFFAOYSA-N 1 2 420.940 4.877 40 0 HJABLO O=C(NC1CCCCCC1)c1nc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306141407 568903126 /nfs/dbraw/zinc/90/31/26/568903126.db2.gz VUSNJGISLIYFSQ-QFIPXVFZSA-N 1 2 417.557 4.519 40 0 HJABLO O=C(NC1CCCCCC1)c1nc([C@@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306141407 568903127 /nfs/dbraw/zinc/90/31/27/568903127.db2.gz VUSNJGISLIYFSQ-QFIPXVFZSA-N 1 2 417.557 4.519 40 0 HJABLO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]cn1)C2 ZINC000328960434 568969687 /nfs/dbraw/zinc/96/96/87/568969687.db2.gz AXZMGSOFRCSVJB-UHFFFAOYSA-N 1 2 400.404 4.550 40 0 HJABLO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc[nH+]1)C2 ZINC000328960434 568969689 /nfs/dbraw/zinc/96/96/89/568969689.db2.gz AXZMGSOFRCSVJB-UHFFFAOYSA-N 1 2 400.404 4.550 40 0 HJABLO Cc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC(C)C)n2)c1 ZINC000328970370 568970491 /nfs/dbraw/zinc/97/04/91/568970491.db2.gz DKFAXGMBOBXEAU-UHFFFAOYSA-N 1 2 416.447 4.627 40 0 HJABLO FC(F)(F)Oc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000328989605 568971669 /nfs/dbraw/zinc/97/16/69/568971669.db2.gz IJZIDQSTQNGQQJ-UHFFFAOYSA-N 1 2 414.431 4.984 40 0 HJABLO CNc1nc(Nc2c(C)cc(C)cc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329013053 568972511 /nfs/dbraw/zinc/97/25/11/568972511.db2.gz MNCZDCVFBUCVDJ-UHFFFAOYSA-N 1 2 402.420 4.597 40 0 HJABLO CC1CC[NH+]([C@H](C(=O)Nc2nnc(-c3ccccc3F)s2)c2ccccc2)CC1 ZINC000141591950 569355071 /nfs/dbraw/zinc/35/50/71/569355071.db2.gz VSDWZDVJGDNGRV-IBGZPJMESA-N 1 2 410.518 4.756 40 0 HJABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329011518 571305912 /nfs/dbraw/zinc/30/59/12/571305912.db2.gz MGEYPQMKQMJOAP-LJQANCHMSA-N 1 2 400.885 5.109 40 0 HJABLO CC(C)[C@H](CO)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329070898 571306261 /nfs/dbraw/zinc/30/62/61/571306261.db2.gz ZKTXVFFVJZBSSH-HNNXBMFYSA-N 1 2 414.859 5.199 40 0 HJABLO Cc1nc2cc(Nc3cc(-c4ccccc4)[nH+]c(N[C@H](CO)C(C)C)n3)ccc2s1 ZINC000328993069 571309944 /nfs/dbraw/zinc/30/99/44/571309944.db2.gz IYHZQHSWVPEWPE-HXUWFJFHSA-N 1 2 419.554 5.234 40 0 HJABLO Cc1[nH+]cc(NC(=O)COc2ccccc2F)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616144 527293832 /nfs/dbraw/zinc/29/38/32/527293832.db2.gz MZMNIOYAXVLUKI-UHFFFAOYSA-N 1 2 422.485 4.769 40 0 HJABLO Cc1[nH+]cc(NC(=O)c2c(F)cccc2F)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615913 527299533 /nfs/dbraw/zinc/29/95/33/527299533.db2.gz DKGFYSAKSCVUCX-UHFFFAOYSA-N 1 2 414.412 4.974 40 0 HJABLO Cc1ccc(C(=O)c2c(NC(=O)C[N@H+]3CCCC[C@@H]3C)sc3c2CCCC3)cc1 ZINC000004847598 557606094 /nfs/dbraw/zinc/60/60/94/557606094.db2.gz DCPMZSRCZRKYDE-KRWDZBQOSA-N 1 2 410.583 4.979 40 0 HJABLO Cc1ccc(C(=O)c2c(NC(=O)C[N@@H+]3CCCC[C@@H]3C)sc3c2CCCC3)cc1 ZINC000004847598 557606097 /nfs/dbraw/zinc/60/60/97/557606097.db2.gz DCPMZSRCZRKYDE-KRWDZBQOSA-N 1 2 410.583 4.979 40 0 HJABLO O=c1c(C[NH+]2CCCCC2)c(-c2ccccc2)[nH]n1-c1ccc(Cl)c(Cl)c1 ZINC000006927312 557730418 /nfs/dbraw/zinc/73/04/18/557730418.db2.gz GUJOXVGJVIOLRP-KRWDZBQOSA-N 1 2 402.325 4.846 40 0 HJABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccncc2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019754179 558273526 /nfs/dbraw/zinc/27/35/26/558273526.db2.gz OFQPNFLFJYUSOW-OAQYLSRUSA-N 1 2 421.932 4.813 40 0 HJABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccncc2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019754179 558273529 /nfs/dbraw/zinc/27/35/29/558273529.db2.gz OFQPNFLFJYUSOW-OAQYLSRUSA-N 1 2 421.932 4.813 40 0 HJABLO CCC(C)(C)n1nnnc1[C@H](c1cccs1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000020098392 558331860 /nfs/dbraw/zinc/33/18/60/558331860.db2.gz HFGUZPUSTSLYOX-FQEVSTJZSA-N 1 2 411.550 4.898 40 0 HJABLO CCC(C)(C)n1nnnc1[C@H](c1cccs1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000020098392 558331864 /nfs/dbraw/zinc/33/18/64/558331864.db2.gz HFGUZPUSTSLYOX-FQEVSTJZSA-N 1 2 411.550 4.898 40 0 HJABLO COc1ccc(/C=C(/C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2)cc1 ZINC000020105561 558333214 /nfs/dbraw/zinc/33/32/14/558333214.db2.gz FDORMPFHHQWZRG-KOEQRZSOSA-N 1 2 409.489 4.738 40 0 HJABLO FC(F)(F)c1cc(SCc2cn3ccccc3[nH+]2)nc2cc3c(cc21)OCO3 ZINC000016545914 558795636 /nfs/dbraw/zinc/79/56/36/558795636.db2.gz LPCKGRXLMMYNRO-UHFFFAOYSA-N 1 2 403.385 4.922 40 0 HJABLO Cc1cnccc1C[N@H+]1CCC[C@H]1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1 ZINC000019239522 558858031 /nfs/dbraw/zinc/85/80/31/558858031.db2.gz QARPJMRDPWWZLG-SFHVURJKSA-N 1 2 403.452 4.912 40 0 HJABLO Cc1cnccc1C[N@@H+]1CCC[C@H]1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1 ZINC000019239522 558858032 /nfs/dbraw/zinc/85/80/32/558858032.db2.gz QARPJMRDPWWZLG-SFHVURJKSA-N 1 2 403.452 4.912 40 0 HJABLO COc1ccc([C@H]2N3CCc4c5ccccc5[nH]c4[C@@H]3[C@H]3CCCC[N@@H+]32)c(OC)c1 ZINC000019329925 558867988 /nfs/dbraw/zinc/86/79/88/558867988.db2.gz OPAURFWSUNCBPO-IEZKXTBUSA-N 1 2 403.526 4.651 40 0 HJABLO COc1ccc([C@H]2N3CCc4c5ccccc5[nH]c4[C@@H]3[C@H]3CCCC[N@H+]32)c(OC)c1 ZINC000019329925 558867989 /nfs/dbraw/zinc/86/79/89/558867989.db2.gz OPAURFWSUNCBPO-IEZKXTBUSA-N 1 2 403.526 4.651 40 0 HJABLO COc1cccc(C[N@@H+]2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1OC ZINC000019574887 558932459 /nfs/dbraw/zinc/93/24/59/558932459.db2.gz DUKYJCGHBONDFU-MZMPZRCHSA-N 1 2 424.467 4.545 40 0 HJABLO COc1cccc(C[N@H+]2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1OC ZINC000019574887 558932462 /nfs/dbraw/zinc/93/24/62/558932462.db2.gz DUKYJCGHBONDFU-MZMPZRCHSA-N 1 2 424.467 4.545 40 0 HJABLO COC(=O)Cn1cc(C[N@H+](Cc2cccnc2)Cc2ccccc2F)c2ccccc21 ZINC000019592511 558943354 /nfs/dbraw/zinc/94/33/54/558943354.db2.gz VETYJVNMYQZJDW-UHFFFAOYSA-N 1 2 417.484 4.551 40 0 HJABLO COC(=O)Cn1cc(C[N@@H+](Cc2cccnc2)Cc2ccccc2F)c2ccccc21 ZINC000019592511 558943357 /nfs/dbraw/zinc/94/33/57/558943357.db2.gz VETYJVNMYQZJDW-UHFFFAOYSA-N 1 2 417.484 4.551 40 0 HJABLO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)Nc1c(C)nn(Cc2ccc(F)cc2)c1C ZINC000019718456 558981857 /nfs/dbraw/zinc/98/18/57/558981857.db2.gz HETOGFDSRJXOPV-QGZVFWFLSA-N 1 2 419.504 4.799 40 0 HJABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc[nH+]c2N2CCCCCC2)cc1 ZINC000072216741 559169601 /nfs/dbraw/zinc/16/96/01/559169601.db2.gz QBQLPWAFYIBACY-QFIPXVFZSA-N 1 2 413.587 4.686 40 0 HJABLO COC(=O)c1c2c(sc1NC(=O)C1CC[NH+](c3ccc(C)cc3)CC1)CCCC2 ZINC000219856295 568499141 /nfs/dbraw/zinc/49/91/41/568499141.db2.gz VQWSHQXMDOIEGJ-UHFFFAOYSA-N 1 2 412.555 4.577 40 0 HJABLO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1Cl ZINC000219864148 568499374 /nfs/dbraw/zinc/49/93/74/568499374.db2.gz LKUGQCZBVWKZPB-UHFFFAOYSA-N 1 2 400.906 4.680 40 0 HJABLO CCc1ccc(C[N@@H+]2CCCC[C@H]2c2n[nH]cc2C(=O)N(C)Cc2ccccc2)cc1 ZINC000257259102 568792705 /nfs/dbraw/zinc/79/27/05/568792705.db2.gz KWVKLSDUOBEXQO-DEOSSOPVSA-N 1 2 416.569 4.972 40 0 HJABLO CCc1ccc(C[N@H+]2CCCC[C@H]2c2n[nH]cc2C(=O)N(C)Cc2ccccc2)cc1 ZINC000257259102 568792706 /nfs/dbraw/zinc/79/27/06/568792706.db2.gz KWVKLSDUOBEXQO-DEOSSOPVSA-N 1 2 416.569 4.972 40 0 HJABLO CCc1ccc(C[N@@H+]2CCCC[C@H]2c2[nH]ncc2C(=O)N(C)Cc2ccccc2)cc1 ZINC000257259102 568792707 /nfs/dbraw/zinc/79/27/07/568792707.db2.gz KWVKLSDUOBEXQO-DEOSSOPVSA-N 1 2 416.569 4.972 40 0 HJABLO CCc1ccc(C[N@H+]2CCCC[C@H]2c2[nH]ncc2C(=O)N(C)Cc2ccccc2)cc1 ZINC000257259102 568792708 /nfs/dbraw/zinc/79/27/08/568792708.db2.gz KWVKLSDUOBEXQO-DEOSSOPVSA-N 1 2 416.569 4.972 40 0 HJABLO Cc1ccccc1C[N@H+]1CCCC[C@@H]1c1[nH]ncc1C(=O)N(C)Cc1ccccc1 ZINC000257298200 568803930 /nfs/dbraw/zinc/80/39/30/568803930.db2.gz RKPPATMXPDPCNO-HSZRJFAPSA-N 1 2 402.542 4.718 40 0 HJABLO Cc1ccccc1C[N@@H+]1CCCC[C@@H]1c1[nH]ncc1C(=O)N(C)Cc1ccccc1 ZINC000257298200 568803933 /nfs/dbraw/zinc/80/39/33/568803933.db2.gz RKPPATMXPDPCNO-HSZRJFAPSA-N 1 2 402.542 4.718 40 0 HJABLO FC(F)(F)c1ccccc1Cc1cccc([C@@H]2C[N@H+](Cc3cccnc3)CCO2)n1 ZINC000257314876 568808844 /nfs/dbraw/zinc/80/88/44/568808844.db2.gz UYXSVYLSKNZWFQ-QFIPXVFZSA-N 1 2 413.443 4.660 40 0 HJABLO FC(F)(F)c1ccccc1Cc1cccc([C@@H]2C[N@@H+](Cc3cccnc3)CCO2)n1 ZINC000257314876 568808846 /nfs/dbraw/zinc/80/88/46/568808846.db2.gz UYXSVYLSKNZWFQ-QFIPXVFZSA-N 1 2 413.443 4.660 40 0 HJABLO FC(F)(F)Oc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1Cl ZINC000329023009 568973329 /nfs/dbraw/zinc/97/33/29/568973329.db2.gz OQDQFSZAMAGJAA-UHFFFAOYSA-N 1 2 420.822 4.857 40 0 HJABLO Cc1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000020241793 569349623 /nfs/dbraw/zinc/34/96/23/569349623.db2.gz KAGLADHPZDOGKK-UHFFFAOYSA-N 1 2 413.565 4.874 40 0 HJABLO CC(C)(C)Nc1nc(NCc2cccc(Br)c2)cc(-c2cccnc2)[nH+]1 ZINC000328998640 571305030 /nfs/dbraw/zinc/30/50/30/571305030.db2.gz JTWJXOGMJNZYNF-UHFFFAOYSA-N 1 2 412.335 5.124 40 0 HJABLO CCOc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC)n2)cc1 ZINC000328975295 571308985 /nfs/dbraw/zinc/30/89/85/571308985.db2.gz FKDBNVNRQIZFCY-UHFFFAOYSA-N 1 2 404.392 5.226 40 0 HJABLO Cc1[nH+]cc(NC(=O)Cc2ccc(F)cc2)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616179 527294653 /nfs/dbraw/zinc/29/46/53/527294653.db2.gz ZNDGWORLQVLWTR-UHFFFAOYSA-N 1 2 406.486 4.933 40 0 HJABLO Cc1ccc(C(=O)c2c(NC(=O)C[N@H+]3CCCC[C@H]3C)sc3c2CCCC3)cc1 ZINC000004847599 557606063 /nfs/dbraw/zinc/60/60/63/557606063.db2.gz DCPMZSRCZRKYDE-QGZVFWFLSA-N 1 2 410.583 4.979 40 0 HJABLO Cc1ccc(C(=O)c2c(NC(=O)C[N@@H+]3CCCC[C@H]3C)sc3c2CCCC3)cc1 ZINC000004847599 557606066 /nfs/dbraw/zinc/60/60/66/557606066.db2.gz DCPMZSRCZRKYDE-QGZVFWFLSA-N 1 2 410.583 4.979 40 0 HJABLO CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020459561 558371991 /nfs/dbraw/zinc/37/19/91/558371991.db2.gz SGYMEPOFCIBPAR-MLYOZINFSA-N 1 2 414.549 4.855 40 0 HJABLO O=C(CSCc1c(Cl)cccc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000020493754 558379185 /nfs/dbraw/zinc/37/91/85/558379185.db2.gz DINSIXURVJSFOW-UHFFFAOYSA-N 1 2 406.338 4.729 40 0 HJABLO CC[C@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000038771712 558815176 /nfs/dbraw/zinc/81/51/76/558815176.db2.gz DZKLVDRUEJEOAK-OPATVPMHSA-N 1 2 414.549 4.855 40 0 HJABLO CC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000038858367 558819603 /nfs/dbraw/zinc/81/96/03/558819603.db2.gz VWRBDCYJOLFYKT-UHFFFAOYSA-N 1 2 415.331 4.502 40 0 HJABLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c(F)c1 ZINC000019116893 558842228 /nfs/dbraw/zinc/84/22/28/558842228.db2.gz VKWWRXWMISLRJJ-QGZVFWFLSA-N 1 2 408.399 4.541 40 0 HJABLO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c(F)c1 ZINC000019116893 558842230 /nfs/dbraw/zinc/84/22/30/558842230.db2.gz VKWWRXWMISLRJJ-QGZVFWFLSA-N 1 2 408.399 4.541 40 0 HJABLO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCC[N@@H+]3Cc3cccnc3)cc2N1 ZINC000019451226 558889289 /nfs/dbraw/zinc/88/92/89/558889289.db2.gz NVAKIUQHADPTNX-QXAKKESOSA-N 1 2 407.484 4.949 40 0 HJABLO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCC[N@H+]3Cc3cccnc3)cc2N1 ZINC000019451226 558889290 /nfs/dbraw/zinc/88/92/90/558889290.db2.gz NVAKIUQHADPTNX-QXAKKESOSA-N 1 2 407.484 4.949 40 0 HJABLO CC[NH+](CC)Cc1nnc2sc(-c3cc(-c4cccs4)nc4ccccc43)nn12 ZINC000071260575 558896503 /nfs/dbraw/zinc/89/65/03/558896503.db2.gz ZUABJZWGMNVOOD-UHFFFAOYSA-N 1 2 420.567 4.971 40 0 HJABLO COc1cc(C[N@@H+]2CCCC[C@H]2c2nnc(-c3cccs3)o2)cc(OC)c1OC ZINC000019549791 558914663 /nfs/dbraw/zinc/91/46/63/558914663.db2.gz XAKXDKWAPJSKCN-HNNXBMFYSA-N 1 2 415.515 4.551 40 0 HJABLO COc1cc(C[N@H+]2CCCC[C@H]2c2nnc(-c3cccs3)o2)cc(OC)c1OC ZINC000019549791 558914664 /nfs/dbraw/zinc/91/46/64/558914664.db2.gz XAKXDKWAPJSKCN-HNNXBMFYSA-N 1 2 415.515 4.551 40 0 HJABLO CC(C)n1cc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C2)c2ccccc21 ZINC000072335643 558936895 /nfs/dbraw/zinc/93/68/95/558936895.db2.gz XKHVBVNIFNXHSC-UHFFFAOYSA-N 1 2 419.573 4.512 40 0 HJABLO CC(C)n1cc(C[N@H+]2CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C2)c2ccccc21 ZINC000072335643 558936897 /nfs/dbraw/zinc/93/68/97/558936897.db2.gz XKHVBVNIFNXHSC-UHFFFAOYSA-N 1 2 419.573 4.512 40 0 HJABLO COc1ccc(CCC(=O)N2CCC[C@@H]2c2ccc(Nc3cccc(C)[nH+]3)cn2)cc1 ZINC000072353061 558949719 /nfs/dbraw/zinc/94/97/19/558949719.db2.gz UGJQWGTZUUXZLH-HSZRJFAPSA-N 1 2 416.525 4.834 40 0 HJABLO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccccc2F)nc2c1CCCN2Cc1ccccn1 ZINC000072373836 558961245 /nfs/dbraw/zinc/96/12/45/558961245.db2.gz GRZLWKHRQKMESA-QHCPKHFHSA-N 1 2 417.532 4.609 40 0 HJABLO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccccc2F)nc2c1CCCN2Cc1ccccn1 ZINC000072373836 558961246 /nfs/dbraw/zinc/96/12/46/558961246.db2.gz GRZLWKHRQKMESA-QHCPKHFHSA-N 1 2 417.532 4.609 40 0 HJABLO COc1cccc(C(=O)N2CCC(c3ccc(Nc4cccc(C)[nH+]4)cn3)CC2)c1 ZINC000072374164 558961417 /nfs/dbraw/zinc/96/14/17/558961417.db2.gz GZTBEMQLMSQLRA-UHFFFAOYSA-N 1 2 402.498 4.557 40 0 HJABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 ZINC000072378895 558967890 /nfs/dbraw/zinc/96/78/90/558967890.db2.gz SDDZYHYOAMWICJ-QFIPXVFZSA-N 1 2 413.525 4.778 40 0 HJABLO CCc1ccc(C(=O)Nc2nc([C@H]3CCC[N@@H+]3Cc3ncccc3C)cs2)cc1 ZINC000585273796 559118295 /nfs/dbraw/zinc/11/82/95/559118295.db2.gz RUPBRUWANJFXFQ-OAQYLSRUSA-N 1 2 406.555 4.998 40 0 HJABLO CCc1ccc(C(=O)Nc2nc([C@H]3CCC[N@H+]3Cc3ncccc3C)cs2)cc1 ZINC000585273796 559118297 /nfs/dbraw/zinc/11/82/97/559118297.db2.gz RUPBRUWANJFXFQ-OAQYLSRUSA-N 1 2 406.555 4.998 40 0 HJABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc[nH+]c2N2CCCCCC2)cc1 ZINC000072216740 559169503 /nfs/dbraw/zinc/16/95/03/559169503.db2.gz QBQLPWAFYIBACY-JOCHJYFZSA-N 1 2 413.587 4.686 40 0 HJABLO COc1ccc(NC(=S)N2CCC[C@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)c(OC)c1 ZINC000001350139 560576702 /nfs/dbraw/zinc/57/67/02/560576702.db2.gz ZYBLZOCGCSPPMJ-INIZCTEOSA-N 1 2 424.570 4.773 40 0 HJABLO CCOc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000004966661 560621708 /nfs/dbraw/zinc/62/17/08/560621708.db2.gz PPDVKLIJLNGPMY-LJQANCHMSA-N 1 2 408.542 4.624 40 0 HJABLO COc1ccc(CC[N@@H+]2CCOc3nc4c(cccc4C(C)C)cc3C2)cc1OC ZINC000013563821 560816339 /nfs/dbraw/zinc/81/63/39/560816339.db2.gz VLRNPDUFUXWZCI-UHFFFAOYSA-N 1 2 406.526 4.813 40 0 HJABLO COc1ccc(CC[N@H+]2CCOc3nc4c(cccc4C(C)C)cc3C2)cc1OC ZINC000013563821 560816340 /nfs/dbraw/zinc/81/63/40/560816340.db2.gz VLRNPDUFUXWZCI-UHFFFAOYSA-N 1 2 406.526 4.813 40 0 HJABLO Fc1ccc(Oc2nc(N3CCCC3)nc3c2C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000057774614 568497450 /nfs/dbraw/zinc/49/74/50/568497450.db2.gz SIXKSCWGLISHLF-UHFFFAOYSA-N 1 2 404.489 4.567 40 0 HJABLO Fc1ccc(Oc2nc(N3CCCC3)nc3c2C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000057774614 568497452 /nfs/dbraw/zinc/49/74/52/568497452.db2.gz SIXKSCWGLISHLF-UHFFFAOYSA-N 1 2 404.489 4.567 40 0 HJABLO CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc([NH+](C)C)cc3)N21 ZINC000222705837 568524295 /nfs/dbraw/zinc/52/42/95/568524295.db2.gz CKSCOSJHZYSXLO-JJEOQYAHSA-N 1 2 417.582 4.918 40 0 HJABLO CNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328967244 568970372 /nfs/dbraw/zinc/97/03/72/568970372.db2.gz CSABYUVOFRFCDA-UHFFFAOYSA-N 1 2 423.236 4.554 40 0 HJABLO Cc1nc(Nc2ccccc2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1 ZINC000328969520 568970512 /nfs/dbraw/zinc/97/05/12/568970512.db2.gz DEXSCVCIOVFGQE-UHFFFAOYSA-N 1 2 400.404 4.990 40 0 HJABLO CC[C@H](C)Nc1nc(NCc2cccs2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329037544 568974037 /nfs/dbraw/zinc/97/40/37/568974037.db2.gz ROOYBFWMKMLRAH-ZDUSSCGKSA-N 1 2 422.476 4.770 40 0 HJABLO CCNc1nc(NCc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329061825 568975058 /nfs/dbraw/zinc/97/50/58/568975058.db2.gz WUOWVFIQKHRSGS-UHFFFAOYSA-N 1 2 422.838 4.583 40 0 HJABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)cc1C(F)(F)F ZINC000329070207 568975780 /nfs/dbraw/zinc/97/57/80/568975780.db2.gz ZERJMVCXFXPAAF-UHFFFAOYSA-N 1 2 402.420 4.579 40 0 HJABLO CCNc1nc(NCc2ccccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329070667 568975950 /nfs/dbraw/zinc/97/59/50/568975950.db2.gz ZJMUDHKATPGJPY-UHFFFAOYSA-N 1 2 422.838 4.583 40 0 HJABLO CC(C)[C@@H](CO)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329070900 571306021 /nfs/dbraw/zinc/30/60/21/571306021.db2.gz ZKTXVFFVJZBSSH-OAHLLOKOSA-N 1 2 414.859 5.199 40 0 HJABLO O=C(c1ccccc1OCc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000013687414 558570363 /nfs/dbraw/zinc/57/03/63/558570363.db2.gz IDMIJSDQTNTWNN-NTEUORMPSA-N 1 2 412.533 4.737 40 0 HJABLO COc1ccc([C@@H]2N3CCc4c5ccccc5[nH]c4[C@@H]3[C@H]3CCCC[N@@H+]32)c(OC)c1 ZINC000019329928 558868051 /nfs/dbraw/zinc/86/80/51/558868051.db2.gz OPAURFWSUNCBPO-ZODMCCGTSA-N 1 2 403.526 4.651 40 0 HJABLO COc1ccc([C@@H]2N3CCc4c5ccccc5[nH]c4[C@@H]3[C@H]3CCCC[N@H+]32)c(OC)c1 ZINC000019329928 558868053 /nfs/dbraw/zinc/86/80/53/558868053.db2.gz OPAURFWSUNCBPO-ZODMCCGTSA-N 1 2 403.526 4.651 40 0 HJABLO CCOc1cc2c(cc1C[NH2+][C@H](Cc1cccs1)c1nc(C)cs1)OCO2 ZINC000019532515 558912564 /nfs/dbraw/zinc/91/25/64/558912564.db2.gz HMWIOOVADBAQQY-MRXNPFEDSA-N 1 2 402.541 4.714 40 0 HJABLO COc1ccc(CCC(=O)N2CCC[C@H]2c2ccc(Nc3cccc(C)[nH+]3)cn2)cc1 ZINC000072353060 558949704 /nfs/dbraw/zinc/94/97/04/558949704.db2.gz UGJQWGTZUUXZLH-QHCPKHFHSA-N 1 2 416.525 4.834 40 0 HJABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 ZINC000072357659 558953438 /nfs/dbraw/zinc/95/34/38/558953438.db2.gz NHUWVTYEMDRRID-XMMPIXPASA-N 1 2 419.500 4.596 40 0 HJABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 ZINC000072357659 558953442 /nfs/dbraw/zinc/95/34/42/558953442.db2.gz NHUWVTYEMDRRID-XMMPIXPASA-N 1 2 419.500 4.596 40 0 HJABLO Nc1ccc(-c2ccc([C@@H]3CCCN3C(=O)CCc3cccc(Cl)c3)nc2)c[nH+]1 ZINC000019688961 558958347 /nfs/dbraw/zinc/95/83/47/558958347.db2.gz YZMUPKBMBBEVHY-NRFANRHFSA-N 1 2 406.917 4.676 40 0 HJABLO c1csc(Nc2nccc([C@H]3CCCC[N@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072377994 558967104 /nfs/dbraw/zinc/96/71/04/558967104.db2.gz GTNFVYIIMFNSEP-HXUWFJFHSA-N 1 2 402.527 4.952 40 0 HJABLO c1csc(Nc2nccc([C@H]3CCCC[N@@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072377994 558967106 /nfs/dbraw/zinc/96/71/06/558967106.db2.gz GTNFVYIIMFNSEP-HXUWFJFHSA-N 1 2 402.527 4.952 40 0 HJABLO Clc1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1nnc(-c3ccsc3)o1)OCO2 ZINC000072390155 558970409 /nfs/dbraw/zinc/97/04/09/558970409.db2.gz VGHVLLPQXHFUAP-HNNXBMFYSA-N 1 2 403.891 4.907 40 0 HJABLO Clc1cc2c(cc1C[N@H+]1CCCC[C@H]1c1nnc(-c3ccsc3)o1)OCO2 ZINC000072390155 558970411 /nfs/dbraw/zinc/97/04/11/558970411.db2.gz VGHVLLPQXHFUAP-HNNXBMFYSA-N 1 2 403.891 4.907 40 0 HJABLO Cc1onc(-c2ccc(Cl)cc2)c1C(=O)NCCc1[nH]c2cc(C)c(C)cc2[nH+]1 ZINC000019718268 558981482 /nfs/dbraw/zinc/98/14/82/558981482.db2.gz NQHSPPRYLMEBQA-UHFFFAOYSA-N 1 2 408.889 4.769 40 0 HJABLO c1ccc(CC2CC[NH+]([C@H](c3nnnn3C3CCCCC3)c3ccncc3)CC2)cc1 ZINC000004925504 560618734 /nfs/dbraw/zinc/61/87/34/560618734.db2.gz PNJXCCJIASGSOT-DEOSSOPVSA-N 1 2 416.573 4.617 40 0 HJABLO CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(O)cc2)n2c3ccccc3[nH+]c2N1 ZINC000014607233 560846859 /nfs/dbraw/zinc/84/68/59/560846859.db2.gz BNKOOKYNWCCBBV-QFIPXVFZSA-N 1 2 414.440 4.809 40 0 HJABLO FC(F)(F)c1ccc(NC(=S)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000017083176 560862377 /nfs/dbraw/zinc/86/23/77/560862377.db2.gz CFBKQKKWZDXEIM-QPJJXVBHSA-N 1 2 405.489 4.733 40 0 HJABLO S=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(Br)c(Cl)c1 ZINC000225453984 568639179 /nfs/dbraw/zinc/63/91/79/568639179.db2.gz YCKLKFYEODVXIE-UHFFFAOYSA-N 1 2 421.751 4.775 40 0 HJABLO O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225462209 568640139 /nfs/dbraw/zinc/64/01/39/568640139.db2.gz KILOJVIERVETEH-JOCHJYFZSA-N 1 2 401.510 4.888 40 0 HJABLO COc1ccc(CN2CCC[N@H+](Cc3ccc(OC)cc3)C2c2ccc(O)cc2)cc1 ZINC000059474591 568707088 /nfs/dbraw/zinc/70/70/88/568707088.db2.gz NZLFTJVBJBXNHH-UHFFFAOYSA-N 1 2 418.537 4.816 40 0 HJABLO COc1ccc(CN2CCC[N@@H+](Cc3ccc(OC)cc3)C2c2ccc(O)cc2)cc1 ZINC000059474591 568707093 /nfs/dbraw/zinc/70/70/93/568707093.db2.gz NZLFTJVBJBXNHH-UHFFFAOYSA-N 1 2 418.537 4.816 40 0 HJABLO Cc1nc(C[N@@H+]2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)co1 ZINC000257290887 568801871 /nfs/dbraw/zinc/80/18/71/568801871.db2.gz QESPAHJAKFOMCT-ZJOUEHCJSA-N 1 2 421.463 4.766 40 0 HJABLO Cc1nc(C[N@H+]2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)co1 ZINC000257290887 568801872 /nfs/dbraw/zinc/80/18/72/568801872.db2.gz QESPAHJAKFOMCT-ZJOUEHCJSA-N 1 2 421.463 4.766 40 0 HJABLO Cc1cc(C)cc(NC(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000020241795 569349578 /nfs/dbraw/zinc/34/95/78/569349578.db2.gz PRLGPCKYTNDALC-UHFFFAOYSA-N 1 2 413.565 4.874 40 0 HJABLO Cc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccc(C(F)(F)F)cc4)C[C@H]3F)nc2c1 ZINC000096112315 291279488 /nfs/dbraw/zinc/27/94/88/291279488.db2.gz YIEPTGZDHRUYHX-APWZRJJASA-N 1 2 407.411 4.629 40 0 biogenic,in-vitro HJABLO Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccc(C(F)(F)F)cc4)C[C@H]3F)nc2c1 ZINC000096112315 291279490 /nfs/dbraw/zinc/27/94/90/291279490.db2.gz YIEPTGZDHRUYHX-APWZRJJASA-N 1 2 407.411 4.629 40 0 biogenic,in-vitro HJABLO Cc1ccc2nc(CO[C@H]3C[N@H+](Cc4ccc(C(F)(F)F)cc4)C[C@H]3F)[nH]c2c1 ZINC000096112315 291279495 /nfs/dbraw/zinc/27/94/95/291279495.db2.gz YIEPTGZDHRUYHX-APWZRJJASA-N 1 2 407.411 4.629 40 0 biogenic,in-vitro HJABLO Cc1ccc2nc(CO[C@H]3C[N@@H+](Cc4ccc(C(F)(F)F)cc4)C[C@H]3F)[nH]c2c1 ZINC000096112315 291279498 /nfs/dbraw/zinc/27/94/98/291279498.db2.gz YIEPTGZDHRUYHX-APWZRJJASA-N 1 2 407.411 4.629 40 0 biogenic,in-vitro HJABLO CCOc1ccccc1N1CC[NH+](CC(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000036211994 557841311 /nfs/dbraw/zinc/84/13/11/557841311.db2.gz MDNGKNPNURQZRM-UHFFFAOYSA-N 1 2 415.537 4.572 40 0 HJABLO O=C(c1ccccc1CCc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000013688432 558571019 /nfs/dbraw/zinc/57/10/19/558571019.db2.gz LVIHQEGIRWVMPN-NTEUORMPSA-N 1 2 410.561 4.943 40 0 HJABLO CC(=O)[C@@H](C[NH+](C(C)C)C(C)C)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O ZINC000031841669 558752891 /nfs/dbraw/zinc/75/28/91/558752891.db2.gz OUEQETVIEFWKSK-GGAORHGYSA-N 1 2 421.537 4.955 40 0 HJABLO CCCOc1cc2c(cc1C[NH2+][C@@H](Cc1ccsc1)c1nccs1)OCO2 ZINC000019503854 558900862 /nfs/dbraw/zinc/90/08/62/558900862.db2.gz LJDUGVQHRJCTAJ-INIZCTEOSA-N 1 2 402.541 4.796 40 0 HJABLO CCCn1c2ccccc2nc1C[NH+]1CCC(n2c3cc(Cl)ccc3oc2=O)CC1 ZINC000072347906 558945224 /nfs/dbraw/zinc/94/52/24/558945224.db2.gz AKCBPEVYIADGGB-UHFFFAOYSA-N 1 2 424.932 4.845 40 0 HJABLO O=C(C[N@H+]1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1)Nc1nccs1 ZINC000072348893 558945660 /nfs/dbraw/zinc/94/56/60/558945660.db2.gz YWRAABKWAUARFQ-MRXNPFEDSA-N 1 2 412.946 4.677 40 0 HJABLO O=C(C[N@@H+]1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1)Nc1nccs1 ZINC000072348893 558945661 /nfs/dbraw/zinc/94/56/61/558945661.db2.gz YWRAABKWAUARFQ-MRXNPFEDSA-N 1 2 412.946 4.677 40 0 HJABLO O=C(C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1)Nc1nccs1 ZINC000072357703 558953421 /nfs/dbraw/zinc/95/34/21/558953421.db2.gz YHYQQHVNBDDAJF-IBGZPJMESA-N 1 2 412.946 4.558 40 0 HJABLO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1)Nc1nccs1 ZINC000072357703 558953425 /nfs/dbraw/zinc/95/34/25/558953425.db2.gz YHYQQHVNBDDAJF-IBGZPJMESA-N 1 2 412.946 4.558 40 0 HJABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)n1 ZINC000072374710 558962495 /nfs/dbraw/zinc/96/24/95/558962495.db2.gz AGSMNQVCXVMOBE-IBGZPJMESA-N 1 2 420.944 4.636 40 0 HJABLO Cc1c(C[N@@H+]2CCO[C@H](c3c4ccccc4sc3C(N)=O)C2)oc2ccccc12 ZINC000019697603 558965323 /nfs/dbraw/zinc/96/53/23/558965323.db2.gz TUIHUOLVTKPMRO-IBGZPJMESA-N 1 2 406.507 4.628 40 0 HJABLO Cc1c(C[N@H+]2CCO[C@H](c3c4ccccc4sc3C(N)=O)C2)oc2ccccc12 ZINC000019697603 558965326 /nfs/dbraw/zinc/96/53/26/558965326.db2.gz TUIHUOLVTKPMRO-IBGZPJMESA-N 1 2 406.507 4.628 40 0 HJABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 ZINC000072379251 558968013 /nfs/dbraw/zinc/96/80/13/558968013.db2.gz OIOBLAYTXIFWRM-HXUWFJFHSA-N 1 2 420.532 4.869 40 0 HJABLO c1ccc(-c2cnc3c(c2)[C@H]([NH+]2CCCC2)n2nc(-c4ccncc4)nc2S3)cc1 ZINC000072396299 558975234 /nfs/dbraw/zinc/97/52/34/558975234.db2.gz YCWUUZVUOSVNAS-JOCHJYFZSA-N 1 2 412.522 4.509 40 0 HJABLO Clc1cccc(-c2cc3nc4c(c(NCCCn5cc[nH+]c5)n3n2)CCCC4)c1 ZINC000004902613 560617403 /nfs/dbraw/zinc/61/74/03/560617403.db2.gz HSPDVXCAWSSQMN-UHFFFAOYSA-N 1 2 406.921 4.627 40 0 HJABLO Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000020375012 560883685 /nfs/dbraw/zinc/88/36/85/560883685.db2.gz CPJXNUFCCLRDAJ-RUZDIDTESA-N 1 2 410.521 4.618 40 0 HJABLO C[NH+]1CCN(n2c(-c3ccc(C(C)(C)C)cc3)cs/c2=N\c2ccccc2)CC1 ZINC000004614530 560898642 /nfs/dbraw/zinc/89/86/42/560898642.db2.gz GRWLJTXFGDEWAZ-BZZOAKBMSA-N 1 2 406.599 4.630 40 0 HJABLO COc1ccc(-c2nc(NCCCOc3ccc(C)cc3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000057761977 568496945 /nfs/dbraw/zinc/49/69/45/568496945.db2.gz CXMMCCORQIIFHI-UHFFFAOYSA-N 1 2 415.497 4.732 40 0 HJABLO Cc1ccc([NH+]2CCC(C(=O)N(C)Cc3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000219866727 568499432 /nfs/dbraw/zinc/49/94/32/568499432.db2.gz WAGITBPVRGERLI-UHFFFAOYSA-N 1 2 424.932 4.573 40 0 HJABLO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219865226 568499506 /nfs/dbraw/zinc/49/95/06/568499506.db2.gz OCPBZJQWAYPVPC-JOCHJYFZSA-N 1 2 408.542 4.639 40 0 HJABLO CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc([NH+](C)C)cc3)N21 ZINC000222705638 568524255 /nfs/dbraw/zinc/52/42/55/568524255.db2.gz CKSCOSJHZYSXLO-MQNAVGNWSA-N 1 2 417.582 4.918 40 0 HJABLO CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222975118 568532800 /nfs/dbraw/zinc/53/28/00/568532800.db2.gz PBCWRHUYGRIPPB-XZOQPEGZSA-N 1 2 419.598 4.711 40 0 HJABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H](Nc2cccc(F)c2)[C@H]1CC(C)C ZINC000257242450 568788093 /nfs/dbraw/zinc/78/80/93/568788093.db2.gz ICNUEYBTOWMSHA-FYYLOGMGSA-N 1 2 422.548 4.842 40 0 HJABLO Cc1nc(C[N@H+]2[C@H](c3cccc(C(F)(F)F)c3)C[C@H]3NC(=O)CCCC[C@@H]32)cs1 ZINC000257296596 568803335 /nfs/dbraw/zinc/80/33/35/568803335.db2.gz RDMOCBUABZUHRH-QYZOEREBSA-N 1 2 423.504 4.845 40 0 HJABLO Cc1nc(C[N@@H+]2[C@H](c3cccc(C(F)(F)F)c3)C[C@H]3NC(=O)CCCC[C@@H]32)cs1 ZINC000257296596 568803338 /nfs/dbraw/zinc/80/33/38/568803338.db2.gz RDMOCBUABZUHRH-QYZOEREBSA-N 1 2 423.504 4.845 40 0 HJABLO Fc1cc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)ccc1Br ZINC000328955200 568969628 /nfs/dbraw/zinc/96/96/28/568969628.db2.gz AAOOPIJEMYZUEN-UHFFFAOYSA-N 1 2 405.315 4.588 40 0 HJABLO COC(=O)c1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)nc(C)[nH+]1)C2 ZINC000328961421 568969678 /nfs/dbraw/zinc/96/96/78/568969678.db2.gz BCJKBSWJJJBJSN-UHFFFAOYSA-N 1 2 408.889 4.531 40 0 HJABLO COC(=O)c1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)[nH+]c(C)n1)C2 ZINC000328961421 568969681 /nfs/dbraw/zinc/96/96/81/568969681.db2.gz BCJKBSWJJJBJSN-UHFFFAOYSA-N 1 2 408.889 4.531 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2ccc(-c3ccccc3F)cn2)C1 ZINC000019693596 569346504 /nfs/dbraw/zinc/34/65/04/569346504.db2.gz KWDCRIYGINSNOY-XMMPIXPASA-N 1 2 408.521 4.855 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2ccc(-c3ccccc3F)cn2)C1 ZINC000019693596 569346505 /nfs/dbraw/zinc/34/65/05/569346505.db2.gz KWDCRIYGINSNOY-XMMPIXPASA-N 1 2 408.521 4.855 40 0 HJABLO CCCNC(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3ccc(OC)cc3[nH+]2)C[C@H]1C(C)C ZINC000077262124 291275113 /nfs/dbraw/zinc/27/51/13/291275113.db2.gz CFXRZRDMAVOZLH-BJLQDIEVSA-N 1 2 412.578 4.678 40 0 biogenic,in-vitro HJABLO c1[nH]c2c([nH+]1)C[C@@H](c1nc(-c3ccc4ccccc4c3)no1)N(Cc1ccccc1)C2 ZINC000015675646 291281050 /nfs/dbraw/zinc/28/10/50/291281050.db2.gz ZYGAVORDBFQAOM-QHCPKHFHSA-N 1 2 407.477 4.913 40 0 biogenic,in-vitro HJABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044850156 526741389 /nfs/dbraw/zinc/74/13/89/526741389.db2.gz BNCYXNBNBDMQDQ-UHFFFAOYSA-N 1 2 422.532 4.755 40 0 HJABLO CCc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)N[C@@H](c1cccs1)c1ccncc1 ZINC000019523275 558904395 /nfs/dbraw/zinc/90/43/95/558904395.db2.gz QSQYNNAPJALDIQ-OPAMFIHVSA-N 1 2 404.539 4.597 40 0 HJABLO CCOc1cc2c(cc1C[NH2+][C@H](Cc1ccsc1)c1nc(C)cs1)OCO2 ZINC000019532539 558912620 /nfs/dbraw/zinc/91/26/20/558912620.db2.gz NBGRYWZBGKONFC-MRXNPFEDSA-N 1 2 402.541 4.714 40 0 HJABLO COc1cc2c(cc1C[NH2+][C@H](Cc1ccsc1)c1nc(C)c(C)s1)OCO2 ZINC000019559861 558921133 /nfs/dbraw/zinc/92/11/33/558921133.db2.gz QHIPJNQBTOLLHI-MRXNPFEDSA-N 1 2 402.541 4.632 40 0 HJABLO COCCn1cc(C[N@@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)c2ccccc21 ZINC000019594208 558945131 /nfs/dbraw/zinc/94/51/31/558945131.db2.gz FTIXTBGRYKZCLJ-UHFFFAOYSA-N 1 2 420.488 4.717 40 0 HJABLO COCCn1cc(C[N@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)c2ccccc21 ZINC000019594208 558945133 /nfs/dbraw/zinc/94/51/33/558945133.db2.gz FTIXTBGRYKZCLJ-UHFFFAOYSA-N 1 2 420.488 4.717 40 0 HJABLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc3ccc(N(C)C)cc3[nH]2)CC1 ZINC000072365992 558955949 /nfs/dbraw/zinc/95/59/49/558955949.db2.gz JDDYFWZSPDMOOD-UHFFFAOYSA-N 1 2 415.541 4.623 40 0 HJABLO c1csc(Nc2nccc([C@@H]3CCCC[N@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072377995 558967082 /nfs/dbraw/zinc/96/70/82/558967082.db2.gz GTNFVYIIMFNSEP-FQEVSTJZSA-N 1 2 402.527 4.952 40 0 HJABLO c1csc(Nc2nccc([C@@H]3CCCC[N@@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072377995 558967085 /nfs/dbraw/zinc/96/70/85/558967085.db2.gz GTNFVYIIMFNSEP-FQEVSTJZSA-N 1 2 402.527 4.952 40 0 HJABLO CCn1c(C)[nH+]c2cc(NC(=O)CCc3c(C)nn(-c4ccccc4)c3C)ccc21 ZINC000019717306 558979900 /nfs/dbraw/zinc/97/99/00/558979900.db2.gz SQJZSTVOVPZTOK-UHFFFAOYSA-N 1 2 401.514 4.738 40 0 HJABLO CCc1ccc(NC(=O)[C@@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)cc1 ZINC000096037496 559091174 /nfs/dbraw/zinc/09/11/74/559091174.db2.gz SXDIITBMJZMHGC-DEOSSOPVSA-N 1 2 402.542 4.765 40 0 HJABLO Cc1ccc(NC(=O)[C@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)c(F)c1 ZINC000096037515 559091243 /nfs/dbraw/zinc/09/12/43/559091243.db2.gz NOJJOFMYYYTJRV-HSZRJFAPSA-N 1 2 406.505 4.650 40 0 HJABLO CCc1cccc(C)c1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1C ZINC000001346307 560576362 /nfs/dbraw/zinc/57/63/62/560576362.db2.gz QIBREVHSYLHZCG-UHFFFAOYSA-N 1 2 417.538 4.726 40 0 HJABLO CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)cc1 ZINC000001350247 560576750 /nfs/dbraw/zinc/57/67/50/560576750.db2.gz PNGNIWYBJNWUJX-GOSISDBHSA-N 1 2 420.513 4.768 40 0 HJABLO Cc1ccc(C(=O)c2c3c(sc2NC(=O)C[NH+]2CCCCCC2)CCCC3)cc1 ZINC000004847622 560609539 /nfs/dbraw/zinc/60/95/39/560609539.db2.gz GMQGGAMVLRAGKX-UHFFFAOYSA-N 1 2 410.583 4.981 40 0 HJABLO Cc1[nH]c2ccc(NC(=O)CSc3nccc(-c4ccc(Cl)cc4)n3)cc2[nH+]1 ZINC000004902055 560614312 /nfs/dbraw/zinc/61/43/12/560614312.db2.gz WVEUDZKFFWQBIJ-UHFFFAOYSA-N 1 2 409.902 4.713 40 0 HJABLO COc1ccc(C(=O)CN(c2ccc(Br)cc2)C2=[NH+]CCCC2)cc1 ZINC000007275394 568479494 /nfs/dbraw/zinc/47/94/94/568479494.db2.gz CSPUHNWEFOSEGO-UHFFFAOYSA-N 1 2 401.304 4.729 40 0 HJABLO COc1ccc2c(c1)[C@@H](NC(=O)C1CC[NH+](c3ccc(C)cc3)CC1)CC(C)(C)O2 ZINC000219865067 568499399 /nfs/dbraw/zinc/49/93/99/568499399.db2.gz LKQZPSDIUQVEGG-QFIPXVFZSA-N 1 2 408.542 4.639 40 0 HJABLO O=C(CSCc1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000222717601 568524611 /nfs/dbraw/zinc/52/46/11/568524611.db2.gz ALEOWMFXWTZYLQ-UHFFFAOYSA-N 1 2 409.382 4.571 40 0 HJABLO Oc1cccc(C[NH+]2CCN(C(=S)Nc3ccc(Nc4ccccc4)cc3)CC2)c1 ZINC000225220639 568624269 /nfs/dbraw/zinc/62/42/69/568624269.db2.gz ZYXIHPUBHPPCOW-UHFFFAOYSA-N 1 2 418.566 4.650 40 0 HJABLO O=C(CCc1c(Cl)cccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225357875 568631359 /nfs/dbraw/zinc/63/13/59/568631359.db2.gz FAAJKXYNZPOUKH-VMPITWQZSA-N 1 2 403.353 4.784 40 0 HJABLO CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc([NH+](C)C)cc3)N21 ZINC000260755946 568737499 /nfs/dbraw/zinc/73/74/99/568737499.db2.gz CKSCOSJHZYSXLO-ZQMYSKGWSA-N 1 2 417.582 4.918 40 0 HJABLO CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccc([NH+](C)C)cc3)N21 ZINC000260755942 568737519 /nfs/dbraw/zinc/73/75/19/568737519.db2.gz CKSCOSJHZYSXLO-VSDWSMLSSA-N 1 2 417.582 4.918 40 0 HJABLO C[N@H+](CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1)Cc1ccccc1F ZINC000257218746 568781650 /nfs/dbraw/zinc/78/16/50/568781650.db2.gz DEHDIYLYPNBTTJ-HSZRJFAPSA-N 1 2 421.516 4.590 40 0 HJABLO C[N@@H+](CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1)Cc1ccccc1F ZINC000257218746 568781651 /nfs/dbraw/zinc/78/16/51/568781651.db2.gz DEHDIYLYPNBTTJ-HSZRJFAPSA-N 1 2 421.516 4.590 40 0 HJABLO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2[nH]ncc2C(=O)N(C)Cc2ccccc2)c1 ZINC000257290269 568801497 /nfs/dbraw/zinc/80/14/97/568801497.db2.gz QCFDYOQIZZKYPI-HSZRJFAPSA-N 1 2 402.542 4.718 40 0 HJABLO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2[nH]ncc2C(=O)N(C)Cc2ccccc2)c1 ZINC000257290269 568801499 /nfs/dbraw/zinc/80/14/99/568801499.db2.gz QCFDYOQIZZKYPI-HSZRJFAPSA-N 1 2 402.542 4.718 40 0 HJABLO FC(F)(F)c1ccccc1Cc1cccc([C@H]2C[N@H+](Cc3ccccn3)CCO2)n1 ZINC000257302604 568804986 /nfs/dbraw/zinc/80/49/86/568804986.db2.gz SDNSHCGSYBCPGH-JOCHJYFZSA-N 1 2 413.443 4.660 40 0 HJABLO FC(F)(F)c1ccccc1Cc1cccc([C@H]2C[N@@H+](Cc3ccccn3)CCO2)n1 ZINC000257302604 568804988 /nfs/dbraw/zinc/80/49/88/568804988.db2.gz SDNSHCGSYBCPGH-JOCHJYFZSA-N 1 2 413.443 4.660 40 0 HJABLO CC[C@@H](C)Nc1nc(NCc2cccs2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329037543 568974056 /nfs/dbraw/zinc/97/40/56/568974056.db2.gz ROOYBFWMKMLRAH-CYBMUJFWSA-N 1 2 422.476 4.770 40 0 HJABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329038080 568974100 /nfs/dbraw/zinc/97/41/00/568974100.db2.gz RRAOLBMBKPEUSI-LJQANCHMSA-N 1 2 414.456 4.917 40 0 HJABLO COc1cc(CC2=[NH+]CCc3cc(OC)c(OC)cc32)ccc1OCc1ccccc1 ZINC000000689945 291277113 /nfs/dbraw/zinc/27/71/13/291277113.db2.gz YPDPXLXQZBEHOG-UHFFFAOYSA-N 1 2 417.505 4.879 40 0 biogenic,in-vitro HJABLO O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020495870 558380444 /nfs/dbraw/zinc/38/04/44/558380444.db2.gz DTOCKUVFKPPFBQ-UHFFFAOYSA-N 1 2 406.338 4.729 40 0 HJABLO O=C(Nc1ccccc1Sc1ccccc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000022510342 558492839 /nfs/dbraw/zinc/49/28/39/558492839.db2.gz MWLMYMIWLQNRMT-UHFFFAOYSA-N 1 2 404.535 4.922 40 0 HJABLO Cc1ccc(OCC[N@@H+](C)Cc2nc(-c3cccnc3OC3CCCCC3)no2)cc1 ZINC000019211065 558848324 /nfs/dbraw/zinc/84/83/24/558848324.db2.gz GFTSSNOVARVEQC-UHFFFAOYSA-N 1 2 422.529 4.662 40 0 HJABLO Cc1ccc(OCC[N@H+](C)Cc2nc(-c3cccnc3OC3CCCCC3)no2)cc1 ZINC000019211065 558848327 /nfs/dbraw/zinc/84/83/27/558848327.db2.gz GFTSSNOVARVEQC-UHFFFAOYSA-N 1 2 422.529 4.662 40 0 HJABLO Fc1cccc(Nc2noc3c2C[N@H+](Cc2cccc(Oc4ncccn4)c2)CC3)c1 ZINC000019331021 558868131 /nfs/dbraw/zinc/86/81/31/558868131.db2.gz PCOMSUKWPRBPIY-UHFFFAOYSA-N 1 2 417.444 4.698 40 0 HJABLO Fc1cccc(Nc2noc3c2C[N@@H+](Cc2cccc(Oc4ncccn4)c2)CC3)c1 ZINC000019331021 558868134 /nfs/dbraw/zinc/86/81/34/558868134.db2.gz PCOMSUKWPRBPIY-UHFFFAOYSA-N 1 2 417.444 4.698 40 0 HJABLO C[C@@H](Oc1ccc2ccccc2c1)c1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000071260611 558896436 /nfs/dbraw/zinc/89/64/36/558896436.db2.gz YIKKBEVILGCQMM-MRXNPFEDSA-N 1 2 407.543 4.855 40 0 HJABLO Cc1[nH+]c[nH]c1CN1CCCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 ZINC000019577036 558932899 /nfs/dbraw/zinc/93/28/99/558932899.db2.gz MZKTWCWCBPKUQA-BMGDILEWSA-N 1 2 410.488 4.585 40 0 HJABLO O=C(C[N@H+]1CCC[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)Nc1ccccc1F ZINC000019688227 558957666 /nfs/dbraw/zinc/95/76/66/558957666.db2.gz IBLOZMFRZKLOKH-HXUWFJFHSA-N 1 2 421.491 4.769 40 0 HJABLO O=C(C[N@@H+]1CCC[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)Nc1ccccc1F ZINC000019688227 558957669 /nfs/dbraw/zinc/95/76/69/558957669.db2.gz IBLOZMFRZKLOKH-HXUWFJFHSA-N 1 2 421.491 4.769 40 0 HJABLO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)nc2c1CCCN2Cc1ccccn1 ZINC000072372962 558960570 /nfs/dbraw/zinc/96/05/70/558960570.db2.gz NYMJCZLACRYKPR-QHCPKHFHSA-N 1 2 417.532 4.609 40 0 HJABLO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)nc2c1CCCN2Cc1ccccn1 ZINC000072372962 558960574 /nfs/dbraw/zinc/96/05/74/558960574.db2.gz NYMJCZLACRYKPR-QHCPKHFHSA-N 1 2 417.532 4.609 40 0 HJABLO CC(C)c1[nH+]ccn1-c1cccc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)n1 ZINC000072378823 558967801 /nfs/dbraw/zinc/96/78/01/558967801.db2.gz JKNXUQNPKWXPKT-UHFFFAOYSA-N 1 2 420.532 4.869 40 0 HJABLO COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)Nc5cc[nH+]c(C)c5)n4)n3c2)c1 ZINC000096155461 559099691 /nfs/dbraw/zinc/09/96/91/559099691.db2.gz AYGVJMZFALVZNX-UHFFFAOYSA-N 1 2 423.476 4.756 40 0 HJABLO CC1=C(C)C(=O)N(C[C@@H]2C=C(C)[C@H](Cc3[nH]c4ccccc4[nH+]3)C[C@H]2C(C)C)C1=O ZINC000072320785 560077907 /nfs/dbraw/zinc/07/79/07/560077907.db2.gz QXDAJNBWHMTVKT-UFYCRDLUSA-N 1 2 405.542 4.665 40 0 biogenic,in-vitro HJABLO Cc1ccccc1C(=O)c1c2c(sc1NC(=O)C[NH+]1CCCCCC1)CCCC2 ZINC000004847623 560609521 /nfs/dbraw/zinc/60/95/21/560609521.db2.gz NNAOBRLBXLENFG-UHFFFAOYSA-N 1 2 410.583 4.981 40 0 HJABLO Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)sc2c1 ZINC000108928854 560755042 /nfs/dbraw/zinc/75/50/42/560755042.db2.gz LPMKVJILDYTVAH-YESZJQIVSA-N 1 2 409.555 4.708 40 0 HJABLO Cc1ccc([NH+]2CCC(C(=O)NCCSCc3ccc(Cl)cc3)CC2)cc1 ZINC000219851526 568499087 /nfs/dbraw/zinc/49/90/87/568499087.db2.gz WZFQDVBWSDVKPU-UHFFFAOYSA-N 1 2 402.991 4.914 40 0 HJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)CC2)cc1 ZINC000219858626 568499137 /nfs/dbraw/zinc/49/91/37/568499137.db2.gz QUEBHAUVSJLNAZ-UHFFFAOYSA-N 1 2 419.569 4.866 40 0 HJABLO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219865179 568499397 /nfs/dbraw/zinc/49/93/97/568499397.db2.gz OCPBZJQWAYPVPC-QFIPXVFZSA-N 1 2 408.542 4.639 40 0 HJABLO FC(F)(F)c1cccc(Cc2ccc([C@@H]3C[N@H+](Cc4cccnc4)CCO3)nc2)c1 ZINC000257295341 568803104 /nfs/dbraw/zinc/80/31/04/568803104.db2.gz QXXYJCCSKVSIFN-QFIPXVFZSA-N 1 2 413.443 4.660 40 0 HJABLO FC(F)(F)c1cccc(Cc2ccc([C@@H]3C[N@@H+](Cc4cccnc4)CCO3)nc2)c1 ZINC000257295341 568803105 /nfs/dbraw/zinc/80/31/05/568803105.db2.gz QXXYJCCSKVSIFN-QFIPXVFZSA-N 1 2 413.443 4.660 40 0 HJABLO Brc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000328971646 568970548 /nfs/dbraw/zinc/97/05/48/568970548.db2.gz DRBXUDXXDHEDAJ-UHFFFAOYSA-N 1 2 423.358 4.717 40 0 HJABLO FC(F)(F)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c(Cl)c1 ZINC000328987079 568971443 /nfs/dbraw/zinc/97/14/43/568971443.db2.gz IAQLHGKOFKEVGQ-UHFFFAOYSA-N 1 2 404.823 4.978 40 0 HJABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)ccc1Br ZINC000329020308 568973149 /nfs/dbraw/zinc/97/31/49/568973149.db2.gz OALWWERHUBZIHH-KRWDZBQOSA-N 1 2 405.340 4.597 40 0 HJABLO Cc1nc(Nc2cccc(Cl)c2)cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]1 ZINC000329029178 568973565 /nfs/dbraw/zinc/97/35/65/568973565.db2.gz PXXJGLFZPGEJAU-UHFFFAOYSA-N 1 2 408.933 4.972 40 0 HJABLO Cc1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329029178 568973567 /nfs/dbraw/zinc/97/35/67/568973567.db2.gz PXXJGLFZPGEJAU-UHFFFAOYSA-N 1 2 408.933 4.972 40 0 HJABLO Cc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000329035359 568973928 /nfs/dbraw/zinc/97/39/28/568973928.db2.gz REAAVNXRIRONBV-UHFFFAOYSA-N 1 2 400.404 4.990 40 0 HJABLO CC[C@@H](C)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329037166 568974069 /nfs/dbraw/zinc/97/40/69/568974069.db2.gz RMXPICVGNDAMOP-GFCCVEGCSA-N 1 2 403.313 4.954 40 0 HJABLO CCNc1nc(Nc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329050055 568974724 /nfs/dbraw/zinc/97/47/24/568974724.db2.gz USJBBNDMOAYVKE-UHFFFAOYSA-N 1 2 408.811 4.715 40 0 HJABLO Cc1ncc(C(=O)Nc2ccccc2)c([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000019766930 569429632 /nfs/dbraw/zinc/42/96/32/569429632.db2.gz IDMJRWWWDUTZIM-QFIPXVFZSA-N 1 2 404.489 4.904 40 0 HJABLO Cc1ncc(C(=O)Nc2ccccc2)c([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000019766930 569429633 /nfs/dbraw/zinc/42/96/33/569429633.db2.gz IDMJRWWWDUTZIM-QFIPXVFZSA-N 1 2 404.489 4.904 40 0 HJABLO COC(=O)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000328990312 571306809 /nfs/dbraw/zinc/30/68/09/571306809.db2.gz IMXCXCUJJBGONP-UHFFFAOYSA-N 1 2 402.498 5.418 40 0 HJABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000015674142 291280726 /nfs/dbraw/zinc/28/07/26/291280726.db2.gz YNFXKQBVTNMLSK-SJORKVTESA-N 1 2 423.822 4.717 40 0 biogenic,in-vitro HJABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000015674142 291280728 /nfs/dbraw/zinc/28/07/28/291280728.db2.gz YNFXKQBVTNMLSK-SJORKVTESA-N 1 2 423.822 4.717 40 0 biogenic,in-vitro HJABLO Cc1[nH+]cc(NC(=O)[C@@H](C)Oc2ccccc2)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615870 527296760 /nfs/dbraw/zinc/29/67/60/527296760.db2.gz WXRLCNUTVOIGAR-CQSZACIVSA-N 1 2 422.485 4.849 40 0 HJABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 ZINC000019755796 558274188 /nfs/dbraw/zinc/27/41/88/558274188.db2.gz QAOIJBLVGHWTHG-JOCHJYFZSA-N 1 2 404.489 4.904 40 0 HJABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 ZINC000019755796 558274191 /nfs/dbraw/zinc/27/41/91/558274191.db2.gz QAOIJBLVGHWTHG-JOCHJYFZSA-N 1 2 404.489 4.904 40 0 HJABLO COc1cc2ccnc(CCCc3[nH+]ccc4cc(OC)c(OC)cc43)c2cc1OC ZINC000013283718 558529170 /nfs/dbraw/zinc/52/91/70/558529170.db2.gz PINOXMHMQPLDSD-UHFFFAOYSA-N 1 2 418.493 4.993 40 0 HJABLO CCCN1CN(c2ccccc2)C2=N[C@H](c3ccccc3)[NH+]=C(Nc3ccccc3)N2C1 ZINC000030874474 558743763 /nfs/dbraw/zinc/74/37/63/558743763.db2.gz DUEPNJDZFRHVAJ-XMMPIXPASA-N 1 2 424.552 4.972 40 0 HJABLO O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038852006 558819044 /nfs/dbraw/zinc/81/90/44/558819044.db2.gz ZBQLJBJXGAOFOZ-UHFFFAOYSA-N 1 2 420.365 4.901 40 0 HJABLO COc1ccc2cc(C[N@H+](Cc3cccs3)Cc3cccnc3)c(OC)nc2c1 ZINC000057796983 558890423 /nfs/dbraw/zinc/89/04/23/558890423.db2.gz MXJAMBZCXPYCRO-UHFFFAOYSA-N 1 2 405.523 4.911 40 0 HJABLO COc1ccc2cc(C[N@@H+](Cc3cccs3)Cc3cccnc3)c(OC)nc2c1 ZINC000057796983 558890424 /nfs/dbraw/zinc/89/04/24/558890424.db2.gz MXJAMBZCXPYCRO-UHFFFAOYSA-N 1 2 405.523 4.911 40 0 HJABLO CCCOc1cc2c(cc1C[NH2+][C@H](Cc1ccsc1)c1nccs1)OCO2 ZINC000019503856 558900879 /nfs/dbraw/zinc/90/08/79/558900879.db2.gz LJDUGVQHRJCTAJ-MRXNPFEDSA-N 1 2 402.541 4.796 40 0 HJABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3c[nH]nc3C(C)(C)C)cc2n1 ZINC000019522333 558903785 /nfs/dbraw/zinc/90/37/85/558903785.db2.gz MHQJCMYGUWYNKH-INIZCTEOSA-N 1 2 420.483 4.668 40 0 HJABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3c[nH]nc3C(C)(C)C)cc2n1 ZINC000019522333 558903787 /nfs/dbraw/zinc/90/37/87/558903787.db2.gz MHQJCMYGUWYNKH-INIZCTEOSA-N 1 2 420.483 4.668 40 0 HJABLO COc1ccc(C[NH+]2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1OC ZINC000019565016 558925298 /nfs/dbraw/zinc/92/52/98/558925298.db2.gz OPDAOXJOMWNRCU-UHFFFAOYSA-N 1 2 417.456 4.866 40 0 HJABLO COc1ccccc1C[NH+]1CCC(c2cc(C(F)(F)F)c3c(C)noc3n2)CC1 ZINC000019565071 558925328 /nfs/dbraw/zinc/92/53/28/558925328.db2.gz PBSLZSKWUZCCRF-UHFFFAOYSA-N 1 2 405.420 4.938 40 0 HJABLO Cc1cc(Oc2ccc(N(C)C)cc2)cc([C@H]2CCCN(C(=O)c3cccnc3)C2)[nH+]1 ZINC000019570304 558929353 /nfs/dbraw/zinc/92/93/53/558929353.db2.gz DPQKEEZEKHNMTB-FQEVSTJZSA-N 1 2 416.525 4.663 40 0 HJABLO COc1ccccc1CCCNc1cc([C@H](C)Cn2nc(C)c(C)c2C)[nH+]c(C)n1 ZINC000072373175 558961124 /nfs/dbraw/zinc/96/11/24/558961124.db2.gz RKNZHTUYBOSVSR-MRXNPFEDSA-N 1 2 407.562 4.764 40 0 HJABLO Cc1cc(-c2ccc(N)[nH+]c2)cc(C2CCN(C(=O)c3cccc4cccnc43)CC2)n1 ZINC000019692149 558961893 /nfs/dbraw/zinc/96/18/93/558961893.db2.gz GOHDFKSXLDAOAF-UHFFFAOYSA-N 1 2 423.520 4.602 40 0 HJABLO CCc1ccc(C(=O)Nc2nc([C@@H]3CCC[N@@H+]3Cc3ncccc3C)cs2)cc1 ZINC000585273789 559118376 /nfs/dbraw/zinc/11/83/76/559118376.db2.gz RUPBRUWANJFXFQ-NRFANRHFSA-N 1 2 406.555 4.998 40 0 HJABLO CCc1ccc(C(=O)Nc2nc([C@@H]3CCC[N@H+]3Cc3ncccc3C)cs2)cc1 ZINC000585273789 559118378 /nfs/dbraw/zinc/11/83/78/559118378.db2.gz RUPBRUWANJFXFQ-NRFANRHFSA-N 1 2 406.555 4.998 40 0 HJABLO COC(=O)c1ccccc1NC(=S)N1CCC[C@H](c2[nH]c3cc(C)c(C)cc3[nH+]2)C1 ZINC000001350149 560576682 /nfs/dbraw/zinc/57/66/82/560576682.db2.gz MRPKHUOBZREDLV-INIZCTEOSA-N 1 2 422.554 4.543 40 0 HJABLO O=C(C[NH+]1CCCCC1)Nc1sc2c(c1C(=O)c1ccccc1Cl)CCC2 ZINC000004847592 560609514 /nfs/dbraw/zinc/60/95/14/560609514.db2.gz RALHGAIARVIIRF-UHFFFAOYSA-N 1 2 402.947 4.546 40 0 HJABLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000224000920 568565811 /nfs/dbraw/zinc/56/58/11/568565811.db2.gz VIHYKMDORTXYHL-YVWYTEFXSA-N 1 2 406.570 4.743 40 0 HJABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(Cc4cccc(Cl)c4)cc(C)n3)C2)c(C)n1 ZINC000257204753 568777578 /nfs/dbraw/zinc/77/75/78/568777578.db2.gz AWEKIQAHRGNFAX-XMMPIXPASA-N 1 2 424.976 4.733 40 0 HJABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(Cc4cccc(Cl)c4)cc(C)n3)C2)c(C)n1 ZINC000257204753 568777580 /nfs/dbraw/zinc/77/75/80/568777580.db2.gz AWEKIQAHRGNFAX-XMMPIXPASA-N 1 2 424.976 4.733 40 0 HJABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H](Cc2cccc3cccnc32)CC1 ZINC000257230317 568784982 /nfs/dbraw/zinc/78/49/82/568784982.db2.gz GBSDVZDSLQFCLG-OAQYLSRUSA-N 1 2 424.548 4.965 40 0 HJABLO C[C@@H](CCc1ccccc1Cl)Nc1cc(-c2cc(C(C)(C)C)nn2C)[nH+]c(N)n1 ZINC000257275002 568797214 /nfs/dbraw/zinc/79/72/14/568797214.db2.gz NNOUBRGOQIMMEB-AWEZNQCLSA-N 1 2 412.969 4.843 40 0 HJABLO CCNc1nc(Nc2ccc(C)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328973697 568970611 /nfs/dbraw/zinc/97/06/11/568970611.db2.gz FCUDNRZWZSKKTA-UHFFFAOYSA-N 1 2 406.383 4.509 40 0 HJABLO CC[C@H](C)Nc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000328985357 568971307 /nfs/dbraw/zinc/97/13/07/568971307.db2.gz HSZONZVMSYRQPF-ZDUSSCGKSA-N 1 2 415.310 4.843 40 0 HJABLO CCNc1nc(NCc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329020301 568973004 /nfs/dbraw/zinc/97/30/04/568973004.db2.gz OAHIRBGRVCOIQM-UHFFFAOYSA-N 1 2 422.838 4.583 40 0 HJABLO CC[C@H](C)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329037175 568974017 /nfs/dbraw/zinc/97/40/17/568974017.db2.gz RMXPICVGNDAMOP-LBPRGKRZSA-N 1 2 403.313 4.954 40 0 HJABLO COc1cc2c(cc1OC)CN(c1cc(C)[nH+]c(Nc3cccc(Cl)c3)n1)CC2 ZINC000329059540 568975087 /nfs/dbraw/zinc/97/50/87/568975087.db2.gz WHMCBICSVCLBBM-UHFFFAOYSA-N 1 2 410.905 4.762 40 0 HJABLO CC(C)(C)Nc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329063378 568975096 /nfs/dbraw/zinc/97/50/96/568975096.db2.gz XDRDOGJQSSEPFE-UHFFFAOYSA-N 1 2 403.530 4.934 40 0 HJABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329011517 571306166 /nfs/dbraw/zinc/30/61/66/571306166.db2.gz MGEYPQMKQMJOAP-IBGZPJMESA-N 1 2 400.885 5.109 40 0 HJABLO c1csc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)c1 ZINC000015675662 291281011 /nfs/dbraw/zinc/28/10/11/291281011.db2.gz DURRZYNKFJZRBI-NRFANRHFSA-N 1 2 413.506 4.974 40 0 biogenic,in-vitro HJABLO O=C(CSCc1c(F)cccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408573353 557476017 /nfs/dbraw/zinc/47/60/17/557476017.db2.gz CGMVRNZWMWWQLH-VMPITWQZSA-N 1 2 418.965 4.570 40 0 HJABLO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(Cl)cc1)[NH+]1C[C@@H](C)C[C@H](C)C1)S2 ZINC000036104812 557834360 /nfs/dbraw/zinc/83/43/60/557834360.db2.gz JXOOTDTXDUCOPV-GDZNZVCISA-N 1 2 404.967 4.780 40 0 HJABLO CCOc1ccc([C@@H](C2Sc3nc(CC)nn3C2=O)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000036104859 557834365 /nfs/dbraw/zinc/83/43/65/557834365.db2.gz CAGJIBIIVMKPNX-DOXZYTNZSA-N 1 2 414.575 4.525 40 0 HJABLO c1csc([C@@H](Cc2ccsc2)[NH2+]Cc2ccccc2OC[C@H]2CCCO2)n1 ZINC000019349538 558875119 /nfs/dbraw/zinc/87/51/19/558875119.db2.gz NJXPNIGAQNEPFO-RTBURBONSA-N 1 2 400.569 4.836 40 0 HJABLO CC(C)Oc1ccc(-c2csc(NC(=O)c3ccc(Cn4cc[nH+]c4)o3)n2)cc1 ZINC000019450740 558889144 /nfs/dbraw/zinc/88/91/44/558889144.db2.gz DSOXXHYTOZMRIF-UHFFFAOYSA-N 1 2 408.483 4.687 40 0 HJABLO COc1cc(C[N@@H+]2CCCC[C@@H]2c2nnc(-c3cccs3)o2)cc(OC)c1OC ZINC000019549789 558914373 /nfs/dbraw/zinc/91/43/73/558914373.db2.gz XAKXDKWAPJSKCN-OAHLLOKOSA-N 1 2 415.515 4.551 40 0 HJABLO COc1cc(C[N@H+]2CCCC[C@@H]2c2nnc(-c3cccs3)o2)cc(OC)c1OC ZINC000019549789 558914375 /nfs/dbraw/zinc/91/43/75/558914375.db2.gz XAKXDKWAPJSKCN-OAHLLOKOSA-N 1 2 415.515 4.551 40 0 HJABLO COc1ccc2nc(C[N@@H+]3CCCC[C@@H]3c3nnc(-c4scnc4C)o3)ccc2c1 ZINC000019562613 558923135 /nfs/dbraw/zinc/92/31/35/558923135.db2.gz KTJLKYZEQRFRMU-LJQANCHMSA-N 1 2 421.526 4.786 40 0 HJABLO COc1ccc2nc(C[N@H+]3CCCC[C@@H]3c3nnc(-c4scnc4C)o3)ccc2c1 ZINC000019562613 558923137 /nfs/dbraw/zinc/92/31/37/558923137.db2.gz KTJLKYZEQRFRMU-LJQANCHMSA-N 1 2 421.526 4.786 40 0 HJABLO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c(OC)c1 ZINC000019574881 558932444 /nfs/dbraw/zinc/93/24/44/558932444.db2.gz LVDGQRRNSJYEMK-XVGQJIODSA-N 1 2 424.467 4.545 40 0 HJABLO COc1ccc(C[N@H+]2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c(OC)c1 ZINC000019574881 558932445 /nfs/dbraw/zinc/93/24/45/558932445.db2.gz LVDGQRRNSJYEMK-XVGQJIODSA-N 1 2 424.467 4.545 40 0 HJABLO O=C(C[N@H+]1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)Nc1ccccc1F ZINC000019688229 558957701 /nfs/dbraw/zinc/95/77/01/558957701.db2.gz IBLOZMFRZKLOKH-FQEVSTJZSA-N 1 2 421.491 4.769 40 0 HJABLO O=C(C[N@@H+]1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)Nc1ccccc1F ZINC000019688229 558957704 /nfs/dbraw/zinc/95/77/04/558957704.db2.gz IBLOZMFRZKLOKH-FQEVSTJZSA-N 1 2 421.491 4.769 40 0 HJABLO COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(-n3cc[nH+]c3C(C)C)n2)cc1 ZINC000072378927 558967898 /nfs/dbraw/zinc/96/78/98/558967898.db2.gz JAHNYOMFMQTTQC-QFIPXVFZSA-N 1 2 418.541 4.696 40 0 HJABLO C[C@@H]1CCCN(c2ncc(C[N@@H+]3CCc4nc(-c5cccc(F)c5)sc4C3)cn2)C1 ZINC000072392041 558971957 /nfs/dbraw/zinc/97/19/57/558971957.db2.gz OCGHULCGTPUGJQ-MRXNPFEDSA-N 1 2 423.561 4.534 40 0 HJABLO C[C@@H]1CCCN(c2ncc(C[N@H+]3CCc4nc(-c5cccc(F)c5)sc4C3)cn2)C1 ZINC000072392041 558971959 /nfs/dbraw/zinc/97/19/59/558971959.db2.gz OCGHULCGTPUGJQ-MRXNPFEDSA-N 1 2 423.561 4.534 40 0 HJABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000019719280 558983029 /nfs/dbraw/zinc/98/30/29/558983029.db2.gz YDBNHXJHTLKZNI-OAQYLSRUSA-N 1 2 419.525 4.650 40 0 HJABLO Cc1ccc2[nH]c(Cc3ccc(NC(=O)CC[C@H]4c5ccccc5NC4=O)cc3)[nH+]c2c1 ZINC000100778562 559140662 /nfs/dbraw/zinc/14/06/62/559140662.db2.gz NMJJUZWIGLMOGV-FQEVSTJZSA-N 1 2 424.504 4.917 40 0 HJABLO Cc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNS(=O)(=O)C(C)C)C=C3C)[nH+]c2c1 ZINC000072320850 560077150 /nfs/dbraw/zinc/07/71/50/560077150.db2.gz MIVIYWITWWGLSN-UFYCRDLUSA-N 1 2 417.619 4.596 40 0 biogenic,in-vitro HJABLO Cc1ccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNS(=O)(=O)C(C)C)C=C3C)[nH]c2c1 ZINC000072320850 560077152 /nfs/dbraw/zinc/07/71/52/560077152.db2.gz MIVIYWITWWGLSN-UFYCRDLUSA-N 1 2 417.619 4.596 40 0 biogenic,in-vitro HJABLO O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000004858902 560612573 /nfs/dbraw/zinc/61/25/73/560612573.db2.gz OIPPIVCORIKUJG-UHFFFAOYSA-N 1 2 419.569 4.600 40 0 HJABLO CCc1cc(C(=O)c2ccc(Br)cc2)c(NC(=O)C[NH+](CC)CC)s1 ZINC000013503405 560812480 /nfs/dbraw/zinc/81/24/80/560812480.db2.gz BHSRRSSPLRUDNV-UHFFFAOYSA-N 1 2 423.376 4.584 40 0 HJABLO CC(C)(C)c1ccc(CS[C@H]2CCCC[C@@H]2OC(=O)CC[NH+]2CCOCC2)cc1 ZINC000022002188 560890829 /nfs/dbraw/zinc/89/08/29/560890829.db2.gz MRDDPWUIISWEEG-VXKWHMMOSA-N 1 2 419.631 4.794 40 0 HJABLO CC(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328986303 568971460 /nfs/dbraw/zinc/97/14/60/568971460.db2.gz HWYXITDKUQOBOR-UHFFFAOYSA-N 1 2 404.358 4.799 40 0 HJABLO CC[C@@H](C)Nc1nc(Nc2ccc(OC)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329002810 568972248 /nfs/dbraw/zinc/97/22/48/568972248.db2.gz KJIAILMVPSQEAP-CQSZACIVSA-N 1 2 416.447 4.969 40 0 HJABLO CC[C@@H](C)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329011425 568972615 /nfs/dbraw/zinc/97/26/15/568972615.db2.gz MEIRRXKIWWXOQV-CQSZACIVSA-N 1 2 402.420 4.840 40 0 HJABLO Brc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000329064688 568975363 /nfs/dbraw/zinc/97/53/63/568975363.db2.gz XLTCRCVCNRPMKH-UHFFFAOYSA-N 1 2 409.331 4.848 40 0 HJABLO O=C(c1ccccc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000015675922 291280465 /nfs/dbraw/zinc/28/04/65/291280465.db2.gz LTGSFYVTVITLOY-QFIPXVFZSA-N 1 2 421.460 4.553 40 0 biogenic,in-vitro HJABLO O=C(c1ccccc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000015675922 291280468 /nfs/dbraw/zinc/28/04/68/291280468.db2.gz LTGSFYVTVITLOY-QFIPXVFZSA-N 1 2 421.460 4.553 40 0 biogenic,in-vitro HJABLO CCn1c2ccccc2c2cc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)ccc21 ZINC000408562586 557461434 /nfs/dbraw/zinc/46/14/34/557461434.db2.gz CKOHUDAFXOAJQL-UHFFFAOYSA-N 1 2 413.521 4.899 40 0 HJABLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1 ZINC000014976938 558689743 /nfs/dbraw/zinc/68/97/43/558689743.db2.gz VFINORKTHQRPLO-UHFFFAOYSA-N 1 2 402.498 4.566 40 0 HJABLO COc1ccc(CC(=O)N2CC[C@@H](c3[nH+]c(C4CCC4)n4c(C)csc34)C2)cc1 ZINC000019240496 558858965 /nfs/dbraw/zinc/85/89/65/558858965.db2.gz IKZPHAAPQYWGQK-GOSISDBHSA-N 1 2 409.555 4.539 40 0 HJABLO c1csc([C@H](Cc2ccsc2)[NH2+]Cc2ccccc2OC[C@@H]2CCCO2)n1 ZINC000019349536 558875177 /nfs/dbraw/zinc/87/51/77/558875177.db2.gz NJXPNIGAQNEPFO-OALUTQOASA-N 1 2 400.569 4.836 40 0 HJABLO COc1ccc(C[N@H+](Cc2cnn(Cc3ccccc3)c2C)Cc2ccncc2)cc1 ZINC000057797055 558890428 /nfs/dbraw/zinc/89/04/28/558890428.db2.gz YHSWXHRDUOCCJD-UHFFFAOYSA-N 1 2 412.537 4.846 40 0 HJABLO COc1ccc(C[N@@H+](Cc2cnn(Cc3ccccc3)c2C)Cc2ccncc2)cc1 ZINC000057797055 558890429 /nfs/dbraw/zinc/89/04/29/558890429.db2.gz YHSWXHRDUOCCJD-UHFFFAOYSA-N 1 2 412.537 4.846 40 0 HJABLO CCCOc1cc2c(cc1C[NH2+][C@H](Cc1cccs1)c1nccs1)OCO2 ZINC000019503848 558900883 /nfs/dbraw/zinc/90/08/83/558900883.db2.gz GSJRAIUTMVUABN-MRXNPFEDSA-N 1 2 402.541 4.796 40 0 HJABLO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3c[nH]nc3C(C)(C)C)cc2N1 ZINC000019520773 558901995 /nfs/dbraw/zinc/90/19/95/558901995.db2.gz RBCCALCZSYUCQT-HYVNUMGLSA-N 1 2 424.515 4.938 40 0 HJABLO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3c[nH]nc3C(C)(C)C)cc2N1 ZINC000019520773 558901999 /nfs/dbraw/zinc/90/19/99/558901999.db2.gz RBCCALCZSYUCQT-HYVNUMGLSA-N 1 2 424.515 4.938 40 0 HJABLO CCc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)N[C@H](c1cccs1)c1ccncc1 ZINC000019523273 558904392 /nfs/dbraw/zinc/90/43/92/558904392.db2.gz QSQYNNAPJALDIQ-ZHRRBRCNSA-N 1 2 404.539 4.597 40 0 HJABLO Cc1[nH+]c[nH]c1CN1CCCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 ZINC000019577034 558932965 /nfs/dbraw/zinc/93/29/65/558932965.db2.gz MZKTWCWCBPKUQA-JCGIZDLHSA-N 1 2 410.488 4.585 40 0 HJABLO c1ccc(-c2cnc3c(c2)[C@@H]([NH+]2CCCC2)n2nc(-c4ccncc4)nc2S3)cc1 ZINC000072396298 558975255 /nfs/dbraw/zinc/97/52/55/558975255.db2.gz YCWUUZVUOSVNAS-QFIPXVFZSA-N 1 2 412.522 4.509 40 0 HJABLO Cc1ccc(NC(=O)[C@@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)c(F)c1 ZINC000096037514 559091203 /nfs/dbraw/zinc/09/12/03/559091203.db2.gz NOJJOFMYYYTJRV-QHCPKHFHSA-N 1 2 406.505 4.650 40 0 HJABLO Cc1cc(NC(=O)c2ccn(-c3ccc4ccc(-c5cccc(F)c5)cn43)n2)cc[nH+]1 ZINC000096155410 559099661 /nfs/dbraw/zinc/09/96/61/559099661.db2.gz YPUJIXBVULFSQU-UHFFFAOYSA-N 1 2 411.440 4.887 40 0 HJABLO CCOC(=O)c1ccc(NC(=O)N2CCC[C@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)cc1 ZINC000001350254 560576724 /nfs/dbraw/zinc/57/67/24/560576724.db2.gz PNGNIWYBJNWUJX-SFHVURJKSA-N 1 2 420.513 4.768 40 0 HJABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1 ZINC000408962553 560658550 /nfs/dbraw/zinc/65/85/50/560658550.db2.gz ZAQLZIRFEMZALF-STZFKDTASA-N 1 2 421.497 4.919 40 0 HJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(F)c4)cc3n2)cc1 ZINC000006630114 560744591 /nfs/dbraw/zinc/74/45/91/560744591.db2.gz VQWKNFZBZKWLAJ-UHFFFAOYSA-N 1 2 417.488 4.967 40 0 HJABLO Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000020375008 560883605 /nfs/dbraw/zinc/88/36/05/560883605.db2.gz CPJXNUFCCLRDAJ-VWLOTQADSA-N 1 2 410.521 4.618 40 0 HJABLO COc1ccccc1N(CC(=O)c1ccc(Br)cc1)C1=[NH+]CCCC1 ZINC000007276430 568479457 /nfs/dbraw/zinc/47/94/57/568479457.db2.gz YPTQYKYNDKVGBQ-UHFFFAOYSA-N 1 2 401.304 4.729 40 0 HJABLO CCCCOc1ccc(NC(=O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000057711503 568495860 /nfs/dbraw/zinc/49/58/60/568495860.db2.gz WAGMUPVMAVPADB-UHFFFAOYSA-N 1 2 415.965 4.588 40 0 HJABLO Cc1ccc([NH+]2CCC(C(=O)NCCSCc3cccc(Cl)c3)CC2)cc1 ZINC000219851458 568499075 /nfs/dbraw/zinc/49/90/75/568499075.db2.gz MTAGJQDLXPHVIX-UHFFFAOYSA-N 1 2 402.991 4.914 40 0 HJABLO Cc1ccc([NH+]2CCC(C(=O)NCCSCc3ccccc3Cl)CC2)cc1 ZINC000219851374 568499082 /nfs/dbraw/zinc/49/90/82/568499082.db2.gz SWFTVZWTAJHGCO-UHFFFAOYSA-N 1 2 402.991 4.914 40 0 HJABLO Cc1ccc([NH+]2CCC(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)CC2)cc1 ZINC000219856024 568499178 /nfs/dbraw/zinc/49/91/78/568499178.db2.gz UAINOBUPFVSFOU-UHFFFAOYSA-N 1 2 411.977 4.522 40 0 HJABLO Nc1nc(COc2ccc(F)cc2)nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000026099342 568539022 /nfs/dbraw/zinc/53/90/22/568539022.db2.gz RCDCPTMKQYNDHA-UHFFFAOYSA-N 1 2 420.513 4.550 40 0 HJABLO Nc1nc(COc2ccc(F)cc2)nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000026099342 568539024 /nfs/dbraw/zinc/53/90/24/568539024.db2.gz RCDCPTMKQYNDHA-UHFFFAOYSA-N 1 2 420.513 4.550 40 0 HJABLO Cc1cc(CC2CCN(C(=O)c3ccc(C)c(NCc4ccncc4)c3)CC2)cc[nH+]1 ZINC000257332905 568813896 /nfs/dbraw/zinc/81/38/96/568813896.db2.gz XZHHTAGZEVAVLW-UHFFFAOYSA-N 1 2 414.553 4.800 40 0 HJABLO O=C(NC1CCCCCC1)c1nc([C@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306141406 568903121 /nfs/dbraw/zinc/90/31/21/568903121.db2.gz VUSNJGISLIYFSQ-JOCHJYFZSA-N 1 2 417.557 4.519 40 0 HJABLO O=C(NC1CCCCCC1)c1nc([C@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306141406 568903123 /nfs/dbraw/zinc/90/31/23/568903123.db2.gz VUSNJGISLIYFSQ-JOCHJYFZSA-N 1 2 417.557 4.519 40 0 HJABLO CCNc1nc(Nc2cc(C)cc(C)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328966687 568970260 /nfs/dbraw/zinc/97/02/60/568970260.db2.gz COAXXQXKLPINJT-UHFFFAOYSA-N 1 2 402.420 4.678 40 0 HJABLO CC(C)(O)c1ccc2c(c1)CCN(c1cc(Nc3ccccc3)[nH+]c(C3CC3)n1)C2 ZINC000328973629 568970697 /nfs/dbraw/zinc/97/06/97/568970697.db2.gz FBPRWZXVAZCMCQ-UHFFFAOYSA-N 1 2 400.526 4.888 40 0 HJABLO CC(C)(O)c1ccc2c(c1)CCN(c1cc(Nc3ccccc3)nc(C3CC3)[nH+]1)C2 ZINC000328973629 568970700 /nfs/dbraw/zinc/97/07/00/568970700.db2.gz FBPRWZXVAZCMCQ-UHFFFAOYSA-N 1 2 400.526 4.888 40 0 HJABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c(Br)c1 ZINC000329071966 568976011 /nfs/dbraw/zinc/97/60/11/568976011.db2.gz ZUDSGYAOZMXXIP-UHFFFAOYSA-N 1 2 401.352 4.757 40 0 HJABLO O=C(Nc1ccc(Cl)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241804 569349644 /nfs/dbraw/zinc/34/96/44/569349644.db2.gz KJXVBLUYWSULFY-UHFFFAOYSA-N 1 2 419.956 4.910 40 0 HJABLO Cc1ncc(C(=O)Nc2ccccc2)c([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000019766932 569429605 /nfs/dbraw/zinc/42/96/05/569429605.db2.gz IDMJRWWWDUTZIM-JOCHJYFZSA-N 1 2 404.489 4.904 40 0 HJABLO Cc1ncc(C(=O)Nc2ccccc2)c([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000019766932 569429607 /nfs/dbraw/zinc/42/96/07/569429607.db2.gz IDMJRWWWDUTZIM-JOCHJYFZSA-N 1 2 404.489 4.904 40 0 HJABLO CC(C)[C@@H](CO)Nc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329003456 571305900 /nfs/dbraw/zinc/30/59/00/571305900.db2.gz KNNJIVLWDBJVRO-LJQANCHMSA-N 1 2 416.447 5.335 40 0 HJABLO CC(C)[C@@H](CO)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329062359 571306065 /nfs/dbraw/zinc/30/60/65/571306065.db2.gz WWYGIYBVZWXDCI-MRXNPFEDSA-N 1 2 412.481 5.138 40 0 HJABLO c1ccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CCCC3)[nH+]2)cc1 ZINC000329051482 571308512 /nfs/dbraw/zinc/30/85/12/571308512.db2.gz UYECRGLIJURSTK-UHFFFAOYSA-N 1 2 415.541 5.078 40 0 HJABLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408563799 557470341 /nfs/dbraw/zinc/47/03/41/557470341.db2.gz QLZQZXWVNNQKJS-KRZKXXONSA-N 1 2 400.975 4.678 40 0 HJABLO Cc1[nH+]c2cc(F)ccc2n1C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000035314284 557689827 /nfs/dbraw/zinc/68/98/27/557689827.db2.gz NLHWYCNWZRPLKJ-UHFFFAOYSA-N 1 2 410.537 4.799 40 0 HJABLO CCCC[C@@H](CC)CNC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000027911231 558684516 /nfs/dbraw/zinc/68/45/16/558684516.db2.gz QXJSPPFTSSFHLP-QGZVFWFLSA-N 1 2 409.412 4.994 40 0 HJABLO CCOc1cc2c(cc1C[NH2+][C@@H](Cc1ccsc1)c1nc(C)cs1)OCO2 ZINC000019532537 558912633 /nfs/dbraw/zinc/91/26/33/558912633.db2.gz NBGRYWZBGKONFC-INIZCTEOSA-N 1 2 402.541 4.714 40 0 HJABLO CCOc1cc2c(cc1C[NH2+][C@@H](Cc1cccs1)c1nc(C)cs1)OCO2 ZINC000019532513 558912685 /nfs/dbraw/zinc/91/26/85/558912685.db2.gz HMWIOOVADBAQQY-INIZCTEOSA-N 1 2 402.541 4.714 40 0 HJABLO C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3c[nH]nc3C(C)(C)C)cc2N1 ZINC000019574851 558932414 /nfs/dbraw/zinc/93/24/14/558932414.db2.gz HKTSLHKQSKOYDU-UHOFOFEASA-N 1 2 410.488 4.548 40 0 HJABLO C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3c[nH]nc3C(C)(C)C)cc2N1 ZINC000019574851 558932415 /nfs/dbraw/zinc/93/24/15/558932415.db2.gz HKTSLHKQSKOYDU-UHOFOFEASA-N 1 2 410.488 4.548 40 0 HJABLO CC(C)(C)c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3[N@@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000072337366 558937733 /nfs/dbraw/zinc/93/77/33/558937733.db2.gz PWPSIKSLSDPFHU-DOTOQJQBSA-N 1 2 418.570 4.740 40 0 HJABLO CC(C)(C)c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3[N@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000072337366 558937736 /nfs/dbraw/zinc/93/77/36/558937736.db2.gz PWPSIKSLSDPFHU-DOTOQJQBSA-N 1 2 418.570 4.740 40 0 HJABLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)nc2c1CCCN2Cc1ccccn1 ZINC000072372963 558960861 /nfs/dbraw/zinc/96/08/61/558960861.db2.gz NYMJCZLACRYKPR-HSZRJFAPSA-N 1 2 417.532 4.609 40 0 HJABLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)nc2c1CCCN2Cc1ccccn1 ZINC000072372963 558960863 /nfs/dbraw/zinc/96/08/63/558960863.db2.gz NYMJCZLACRYKPR-HSZRJFAPSA-N 1 2 417.532 4.609 40 0 HJABLO Cc1cc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn43)n2)cc[nH+]1 ZINC000096155435 559099658 /nfs/dbraw/zinc/09/96/58/559099658.db2.gz XIBMMMSKVBFXKN-UHFFFAOYSA-N 1 2 411.440 4.887 40 0 HJABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N(C(C)C)C(C)C)[nH+]c2)cc1 ZINC000072212966 559168250 /nfs/dbraw/zinc/16/82/50/559168250.db2.gz VBRNSTLEVZCAMN-NRFANRHFSA-N 1 2 401.576 4.539 40 0 HJABLO Cc1ccccc1-n1ncc2c1nc[nH+]c2SCC(=O)Nc1ccccc1Cl ZINC000001346330 560576354 /nfs/dbraw/zinc/57/63/54/560576354.db2.gz PCZFYYQETJQYMZ-UHFFFAOYSA-N 1 2 409.902 4.508 40 0 HJABLO Fc1ccc(-c2cc3nc(-c4ccccc4)cc(NCCCn4cc[nH+]c4)n3n2)cc1 ZINC000004902545 560617479 /nfs/dbraw/zinc/61/74/79/560617479.db2.gz KKQSPEXHMUADBB-UHFFFAOYSA-N 1 2 412.472 4.901 40 0 HJABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000408960062 560657679 /nfs/dbraw/zinc/65/76/79/560657679.db2.gz IWCSZVACFTWCMM-STZFKDTASA-N 1 2 421.497 4.919 40 0 HJABLO c1ccc(Oc2cccc(CN(CCC[NH+]3CCOCC3)Cc3cccnc3)c2)cc1 ZINC000013569048 560814248 /nfs/dbraw/zinc/81/42/48/560814248.db2.gz QYYTZPDMSDPERB-UHFFFAOYSA-N 1 2 417.553 4.598 40 0 HJABLO CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(O)cc2)n2c3ccccc3[nH+]c2N1 ZINC000014607232 560846844 /nfs/dbraw/zinc/84/68/44/560846844.db2.gz BNKOOKYNWCCBBV-JOCHJYFZSA-N 1 2 414.440 4.809 40 0 HJABLO CCOc1ccc(C(=O)CN(c2ccc(OC)cc2OC)C2=[NH+]CCCCC2)cc1 ZINC000006870317 568462865 /nfs/dbraw/zinc/46/28/65/568462865.db2.gz PZIWNAGIVCUIHF-UHFFFAOYSA-N 1 2 410.514 4.764 40 0 HJABLO COc1ccccc1N(CC(=O)c1ccc(OC(F)F)cc1)C1=[NH+]CCCCC1 ZINC000007276446 568479562 /nfs/dbraw/zinc/47/95/62/568479562.db2.gz CWQVSSRPJSUNIL-UHFFFAOYSA-N 1 2 402.441 4.958 40 0 HJABLO Cc1[nH+]c2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)c2ccccc2F)CC1 ZINC000023316204 568509693 /nfs/dbraw/zinc/50/96/93/568509693.db2.gz WAMHRGHFUYUBJQ-UHFFFAOYSA-N 1 2 405.395 4.980 40 0 HJABLO FC(F)(F)c1cccc(Cc2ccc([C@@H]3C[N@H+](Cc4ccncc4)CCO3)nc2)c1 ZINC000257316282 568809181 /nfs/dbraw/zinc/80/91/81/568809181.db2.gz VEXXQDXSRXIEPI-QFIPXVFZSA-N 1 2 413.443 4.660 40 0 HJABLO FC(F)(F)c1cccc(Cc2ccc([C@@H]3C[N@@H+](Cc4ccncc4)CCO3)nc2)c1 ZINC000257316282 568809182 /nfs/dbraw/zinc/80/91/82/568809182.db2.gz VEXXQDXSRXIEPI-QFIPXVFZSA-N 1 2 413.443 4.660 40 0 HJABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c(Br)c1 ZINC000328956364 568969625 /nfs/dbraw/zinc/96/96/25/568969625.db2.gz AFHGASSXZUTXJX-UHFFFAOYSA-N 1 2 405.315 4.588 40 0 HJABLO CNc1nc(Nc2c(C)ccc(Cl)c2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328967223 568970251 /nfs/dbraw/zinc/97/02/51/568970251.db2.gz CRHWDYNLTYXXJV-UHFFFAOYSA-N 1 2 422.838 4.942 40 0 HJABLO CCNc1nc(Nc2cccc(C)c2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329011473 568972552 /nfs/dbraw/zinc/97/25/52/568972552.db2.gz MEWQOVZRPFBRBO-UHFFFAOYSA-N 1 2 402.420 4.678 40 0 HJABLO O=C(C[NH+]1CCCCC1)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Cl ZINC000004907286 569071632 /nfs/dbraw/zinc/07/16/32/569071632.db2.gz UARULYQGELQFIJ-UHFFFAOYSA-N 1 2 406.313 4.670 40 0 HJABLO CC(C)(C)Nc1nc(NCc2cccnc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328967573 571304913 /nfs/dbraw/zinc/30/49/13/571304913.db2.gz CVSNCPOQOZCCSS-UHFFFAOYSA-N 1 2 417.435 5.260 40 0 HJABLO CC(C)(C)Nc1nc(NCc2ccccc2Br)cc(-c2ccncc2)[nH+]1 ZINC000329034856 571305006 /nfs/dbraw/zinc/30/50/06/571305006.db2.gz RBGNQIBQQQHCED-UHFFFAOYSA-N 1 2 412.335 5.124 40 0 HJABLO O=C(CN1CCCCC1)c1ccc2oc3ccc(C(=O)C[NH+]4CCCCC4)cc3c2c1 ZINC000003650441 557496710 /nfs/dbraw/zinc/49/67/10/557496710.db2.gz KDZZFEURDNNBAZ-UHFFFAOYSA-N 1 2 418.537 4.923 40 0 HJABLO Cc1cccn2cc(-c3cccc(NC(=O)[C@H](c4ccc(F)cc4)[NH+](C)C)c3)nc12 ZINC000035316884 557691601 /nfs/dbraw/zinc/69/16/01/557691601.db2.gz ZTLYWVLLGDWOIV-QFIPXVFZSA-N 1 2 402.473 4.690 40 0 HJABLO Cc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000019286761 558860747 /nfs/dbraw/zinc/86/07/47/558860747.db2.gz KVECPLFORZMVSL-IEBWSBKVSA-N 1 2 407.514 4.567 40 0 HJABLO Fc1cccc(Nc2noc3c2C[N@H+](Cc2ccccc2OC[C@@H]2CCCO2)CC3)c1 ZINC000019349332 558874866 /nfs/dbraw/zinc/87/48/66/558874866.db2.gz XAVTZGHQQZEGKN-FQEVSTJZSA-N 1 2 423.488 4.673 40 0 HJABLO Fc1cccc(Nc2noc3c2C[N@@H+](Cc2ccccc2OC[C@@H]2CCCO2)CC3)c1 ZINC000019349332 558874868 /nfs/dbraw/zinc/87/48/68/558874868.db2.gz XAVTZGHQQZEGKN-FQEVSTJZSA-N 1 2 423.488 4.673 40 0 HJABLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c(OC)c1 ZINC000019574879 558932382 /nfs/dbraw/zinc/93/23/82/558932382.db2.gz LVDGQRRNSJYEMK-OMWUSAIZSA-N 1 2 424.467 4.545 40 0 HJABLO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c(OC)c1 ZINC000019574879 558932384 /nfs/dbraw/zinc/93/23/84/558932384.db2.gz LVDGQRRNSJYEMK-OMWUSAIZSA-N 1 2 424.467 4.545 40 0 HJABLO Cc1c(-c2csc(NC(=O)[C@H](C)n3c4ccccc4[nH+]c3C(C)C)n2)cnn1C ZINC000019667011 558956692 /nfs/dbraw/zinc/95/66/92/558956692.db2.gz OMJMTTUJOWZMBL-AWEZNQCLSA-N 1 2 408.531 4.525 40 0 HJABLO CC(C)(C)OC(=O)NC1CCN(c2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000095087272 559079334 /nfs/dbraw/zinc/07/93/34/559079334.db2.gz ROUKPSOLMLXRRE-UHFFFAOYSA-N 1 2 424.520 4.717 40 0 HJABLO CCN(Cc1ccccc1)C(=O)[C@H]1c2c(ncn2C(C)C)CC[N@H+]1Cc1ccccc1 ZINC000096037483 559091235 /nfs/dbraw/zinc/09/12/35/559091235.db2.gz YXHVOOJOXIICIC-RUZDIDTESA-N 1 2 416.569 4.612 40 0 HJABLO CCN(Cc1ccccc1)C(=O)[C@H]1c2c(ncn2C(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000096037483 559091237 /nfs/dbraw/zinc/09/12/37/559091237.db2.gz YXHVOOJOXIICIC-RUZDIDTESA-N 1 2 416.569 4.612 40 0 HJABLO CCN(Cc1ccccc1)C(=O)[C@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037483 559091239 /nfs/dbraw/zinc/09/12/39/559091239.db2.gz YXHVOOJOXIICIC-RUZDIDTESA-N 1 2 416.569 4.612 40 0 HJABLO CCOC(=O)c1c(NC(=O)C(CC)CC)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000020356144 560883485 /nfs/dbraw/zinc/88/34/85/560883485.db2.gz JRHMBEBMDLBRLG-UHFFFAOYSA-N 1 2 414.571 4.858 40 0 HJABLO CCOC(=O)c1c(NC(=O)C(CC)CC)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000020356144 560883486 /nfs/dbraw/zinc/88/34/86/560883486.db2.gz JRHMBEBMDLBRLG-UHFFFAOYSA-N 1 2 414.571 4.858 40 0 HJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccco4)cc3n2)c(C)c1 ZINC000020611073 568457623 /nfs/dbraw/zinc/45/76/23/568457623.db2.gz ZDBCINBLIQOTMW-UHFFFAOYSA-N 1 2 403.486 4.729 40 0 HJABLO O=C(c1cc(Br)ccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225071924 568612552 /nfs/dbraw/zinc/61/25/52/568612552.db2.gz XRMJZIPDGIGEFO-QPJJXVBHSA-N 1 2 419.750 4.574 40 0 HJABLO CC(C)(C)OC(=O)N1CC[C@H](Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)C1 ZINC000002599352 568931568 /nfs/dbraw/zinc/93/15/68/568931568.db2.gz SISOIGGGBXCPOY-SFHVURJKSA-N 1 2 410.493 4.645 40 0 HJABLO CC[C@H](C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329013541 568972519 /nfs/dbraw/zinc/97/25/19/568972519.db2.gz MQIXHSBQHVWISW-HNNXBMFYSA-N 1 2 411.347 4.572 40 0 HJABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 ZINC000072378992 522580688 /nfs/dbraw/zinc/58/06/88/522580688.db2.gz LNQNDXWKGLXDRR-NRFANRHFSA-N 1 2 402.542 4.559 40 0 HJABLO C[NH+]1CCN(c2c(Cl)cccc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000030828132 523922737 /nfs/dbraw/zinc/92/27/37/523922737.db2.gz JFTFEQOCHBUWKQ-UHFFFAOYSA-N 1 2 422.356 4.541 40 0 HJABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccncc2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019754177 558273561 /nfs/dbraw/zinc/27/35/61/558273561.db2.gz OFQPNFLFJYUSOW-NRFANRHFSA-N 1 2 421.932 4.813 40 0 HJABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccncc2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019754177 558273564 /nfs/dbraw/zinc/27/35/64/558273564.db2.gz OFQPNFLFJYUSOW-NRFANRHFSA-N 1 2 421.932 4.813 40 0 HJABLO Fc1cccc(-c2nc3c(s2)C[N@H+](Cc2cncn2Cc2ccccc2)CC3)c1 ZINC000036752144 558802714 /nfs/dbraw/zinc/80/27/14/558802714.db2.gz ZKIAQEUQFXKUIN-UHFFFAOYSA-N 1 2 404.514 4.752 40 0 HJABLO Fc1cccc(-c2nc3c(s2)C[N@@H+](Cc2cncn2Cc2ccccc2)CC3)c1 ZINC000036752144 558802715 /nfs/dbraw/zinc/80/27/15/558802715.db2.gz ZKIAQEUQFXKUIN-UHFFFAOYSA-N 1 2 404.514 4.752 40 0 HJABLO Fc1cccc(-c2nc3c(s2)CN(Cc2c[nH+]cn2Cc2ccccc2)CC3)c1 ZINC000036752144 558802717 /nfs/dbraw/zinc/80/27/17/558802717.db2.gz ZKIAQEUQFXKUIN-UHFFFAOYSA-N 1 2 404.514 4.752 40 0 HJABLO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1OC ZINC000019574869 558932472 /nfs/dbraw/zinc/93/24/72/558932472.db2.gz HYVQMWVWXLPKAJ-ACWOFJMJSA-N 1 2 424.467 4.545 40 0 HJABLO COc1ccc(C[N@H+]2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1OC ZINC000019574869 558932473 /nfs/dbraw/zinc/93/24/73/558932473.db2.gz HYVQMWVWXLPKAJ-ACWOFJMJSA-N 1 2 424.467 4.545 40 0 HJABLO Cc1nn(C[C@@H](C)c2cc(NCCCN(C)c3ccccc3)nc(C)[nH+]2)c(C)c1C ZINC000072373195 558961116 /nfs/dbraw/zinc/96/11/16/558961116.db2.gz XKOSZPNEZUIPGZ-QGZVFWFLSA-N 1 2 406.578 4.649 40 0 HJABLO Cc1nn(C[C@H](C)c2cc(NCCCN(C)c3ccccc3)nc(C)[nH+]2)c(C)c1C ZINC000072373196 558961132 /nfs/dbraw/zinc/96/11/32/558961132.db2.gz XKOSZPNEZUIPGZ-KRWDZBQOSA-N 1 2 406.578 4.649 40 0 HJABLO Cc1cccc(C)c1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl ZINC000001346488 560576474 /nfs/dbraw/zinc/57/64/74/560576474.db2.gz BBSCPZLUATVFDX-UHFFFAOYSA-N 1 2 423.929 4.817 40 0 HJABLO Fc1cccc(-c2cc3nc(-c4ccccc4)cc(NCCCn4cc[nH+]c4)n3n2)c1 ZINC000004902561 560617449 /nfs/dbraw/zinc/61/74/49/560617449.db2.gz PBBJDQMSDSBOMS-UHFFFAOYSA-N 1 2 412.472 4.901 40 0 HJABLO c1ccc(CC2CC[NH+]([C@H](c3nnnn3C3CCCCC3)c3ccccn3)CC2)cc1 ZINC000004925560 560618757 /nfs/dbraw/zinc/61/87/57/560618757.db2.gz VUORYOXHMJNATO-DEOSSOPVSA-N 1 2 416.573 4.617 40 0 HJABLO Cc1cc(C)c(NC(=O)C[NH+]2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c(C)c1 ZINC000005625870 560627887 /nfs/dbraw/zinc/62/78/87/560627887.db2.gz CJRHHKZEIZMSCZ-UHFFFAOYSA-N 1 2 410.949 4.960 40 0 HJABLO Cc1cc(O[C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc(C)c1Cl ZINC000014401329 560845121 /nfs/dbraw/zinc/84/51/21/560845121.db2.gz UUAFLVFVJMDZHF-JRMCHAMMSA-N 1 2 412.961 4.582 40 0 HJABLO c1csc([C@H](c2nnnn2C2CCCC2)[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000020098289 560880491 /nfs/dbraw/zinc/88/04/91/560880491.db2.gz WBPKXTWRJCZAKT-JOCHJYFZSA-N 1 2 407.587 4.894 40 0 HJABLO O=C(CSCc1ccc(Cl)cc1F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000224336859 568578265 /nfs/dbraw/zinc/57/82/65/568578265.db2.gz XQDJTLHKEYEPEZ-QPJJXVBHSA-N 1 2 418.965 4.570 40 0 HJABLO O=C(N[C@H]1CC2(CCCCC2)Oc2ccccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225462239 568640142 /nfs/dbraw/zinc/64/01/42/568640142.db2.gz KILOJVIERVETEH-QFIPXVFZSA-N 1 2 401.510 4.888 40 0 HJABLO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCOCC4)cc3)CCCCC2)cc1 ZINC000225542269 568649297 /nfs/dbraw/zinc/64/92/97/568649297.db2.gz BRBVGVYSPKISLC-UHFFFAOYSA-N 1 2 422.569 4.547 40 0 HJABLO COc1ccccc1/C=C/CN1CCO[C@H](c2ccc(Nc3cccc(C)[nH+]3)cn2)C1 ZINC000257341980 568816621 /nfs/dbraw/zinc/81/66/21/568816621.db2.gz ZMPMZJRSQDDWLJ-OKHPUOTASA-N 1 2 416.525 4.624 40 0 HJABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329038075 568974095 /nfs/dbraw/zinc/97/40/95/568974095.db2.gz RRAOLBMBKPEUSI-IBGZPJMESA-N 1 2 414.456 4.917 40 0 HJABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329006311 571306048 /nfs/dbraw/zinc/30/60/48/571306048.db2.gz LCUVVLXOIZQCEJ-MRXNPFEDSA-N 1 2 414.859 5.199 40 0 HJABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccc(Cl)cc2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111776 291280709 /nfs/dbraw/zinc/28/07/09/291280709.db2.gz RJNBALUTLTZDMU-GMAHTHKFSA-N 1 2 418.924 4.909 40 0 biogenic,in-vitro HJABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccc(Cl)cc2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111776 291280711 /nfs/dbraw/zinc/28/07/11/291280711.db2.gz RJNBALUTLTZDMU-GMAHTHKFSA-N 1 2 418.924 4.909 40 0 biogenic,in-vitro HJABLO CC(=O)[C@H](C[NH+](C(C)C)C(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O ZINC000031841667 558752975 /nfs/dbraw/zinc/75/29/75/558752975.db2.gz OUEQETVIEFWKSK-JTHBVZDNSA-N 1 2 421.537 4.955 40 0 HJABLO COc1ccc(C[NH+]2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c(OC)c1 ZINC000019565041 558925247 /nfs/dbraw/zinc/92/52/47/558925247.db2.gz IJQGHYIMVNBCAV-UHFFFAOYSA-N 1 2 417.456 4.866 40 0 HJABLO Cc1ccc2[nH]c(Cc3ccc(NC(=O)CCc4nc5ccccc5[nH]4)cc3)[nH+]c2c1 ZINC000019717878 558981044 /nfs/dbraw/zinc/98/10/44/558981044.db2.gz VRHPRHZYIOPTDO-UHFFFAOYSA-N 1 2 409.493 4.910 40 0 HJABLO Cc1onc(-c2ccccc2Cl)c1C(=O)NCCc1[nH]c2cc(C)c(C)cc2[nH+]1 ZINC000019718286 558981417 /nfs/dbraw/zinc/98/14/17/558981417.db2.gz VWMFDYXIMJOIRQ-UHFFFAOYSA-N 1 2 408.889 4.769 40 0 HJABLO CCN(Cc1ccccc1)C(=O)[C@@H]1c2c(ncn2C(C)C)CC[N@H+]1Cc1ccccc1 ZINC000096037482 559091214 /nfs/dbraw/zinc/09/12/14/559091214.db2.gz YXHVOOJOXIICIC-VWLOTQADSA-N 1 2 416.569 4.612 40 0 HJABLO CCN(Cc1ccccc1)C(=O)[C@@H]1c2c(ncn2C(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000096037482 559091216 /nfs/dbraw/zinc/09/12/16/559091216.db2.gz YXHVOOJOXIICIC-VWLOTQADSA-N 1 2 416.569 4.612 40 0 HJABLO CCN(Cc1ccccc1)C(=O)[C@@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037482 559091218 /nfs/dbraw/zinc/09/12/18/559091218.db2.gz YXHVOOJOXIICIC-VWLOTQADSA-N 1 2 416.569 4.612 40 0 HJABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N(C(C)C)C(C)C)[nH+]c2)cc1 ZINC000072212995 559168258 /nfs/dbraw/zinc/16/82/58/559168258.db2.gz WEZFIAKFOHTVGL-QFIPXVFZSA-N 1 2 415.603 4.929 40 0 HJABLO c1ccc(CC2CC[NH+]([C@@H](c3nnnn3C3CCCCC3)c3ccncc3)CC2)cc1 ZINC000004925511 560618759 /nfs/dbraw/zinc/61/87/59/560618759.db2.gz PNJXCCJIASGSOT-XMMPIXPASA-N 1 2 416.573 4.617 40 0 HJABLO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000005625535 560627970 /nfs/dbraw/zinc/62/79/70/560627970.db2.gz QCZLXSRMIFHJMU-UHFFFAOYSA-N 1 2 410.949 4.905 40 0 HJABLO CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc([NH+](C)C)cc3)N21 ZINC000222705706 568524263 /nfs/dbraw/zinc/52/42/63/568524263.db2.gz CKSCOSJHZYSXLO-PDIWNELESA-N 1 2 417.582 4.918 40 0 HJABLO O=C(c1cc2cc3ccccc3nc2s1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000223134537 568538900 /nfs/dbraw/zinc/53/89/00/568538900.db2.gz VNZSCLGFIYDEJN-RMKNXTFCSA-N 1 2 413.546 4.921 40 0 HJABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2cccc(OCc3cccc(F)c3)c2)cc[nH+]1 ZINC000257221608 568782482 /nfs/dbraw/zinc/78/24/82/568782482.db2.gz DPVKHLCZRVEBHW-HSZRJFAPSA-N 1 2 419.500 4.843 40 0 HJABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(Cc4ccccc4Cl)cc(C)n3)C2)c(C)n1 ZINC000257268230 568795199 /nfs/dbraw/zinc/79/51/99/568795199.db2.gz MKTPYVZSPYEMRB-DEOSSOPVSA-N 1 2 424.976 4.733 40 0 HJABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(Cc4ccccc4Cl)cc(C)n3)C2)c(C)n1 ZINC000257268230 568795201 /nfs/dbraw/zinc/79/52/01/568795201.db2.gz MKTPYVZSPYEMRB-DEOSSOPVSA-N 1 2 424.976 4.733 40 0 HJABLO CC[C@H](C)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329011424 568972543 /nfs/dbraw/zinc/97/25/43/568972543.db2.gz MEIRRXKIWWXOQV-AWEZNQCLSA-N 1 2 402.420 4.840 40 0 HJABLO Brc1ccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329044884 568974393 /nfs/dbraw/zinc/97/43/93/568974393.db2.gz SYODLUQZUABYAQ-UHFFFAOYSA-N 1 2 423.358 4.717 40 0 HJABLO Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000329056704 568974877 /nfs/dbraw/zinc/97/48/77/568974877.db2.gz VTPOSPODLDJWBM-UHFFFAOYSA-N 1 2 411.347 4.931 40 0 HJABLO Cc1nc2cc(Nc3cc(-c4ccccc4)[nH+]c(N[C@@H](CO)C(C)C)n3)ccc2s1 ZINC000328993066 571309894 /nfs/dbraw/zinc/30/98/94/571309894.db2.gz IYHZQHSWVPEWPE-FQEVSTJZSA-N 1 2 419.554 5.234 40 0 HJABLO COc1ccccc1CCCNc1cc([C@@H](C)Cn2nc(C)c(C)c2C)[nH+]c(C)n1 ZINC000072373176 524402523 /nfs/dbraw/zinc/40/25/23/524402523.db2.gz RKNZHTUYBOSVSR-INIZCTEOSA-N 1 2 407.562 4.764 40 0 HJABLO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@@H+]2Cc2ccccc2)nc1C ZINC000019753730 558273015 /nfs/dbraw/zinc/27/30/15/558273015.db2.gz YEALQPPFWGRPLX-JOCHJYFZSA-N 1 2 416.525 4.773 40 0 HJABLO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@H+]2Cc2ccccc2)nc1C ZINC000019753730 558273017 /nfs/dbraw/zinc/27/30/17/558273017.db2.gz YEALQPPFWGRPLX-JOCHJYFZSA-N 1 2 416.525 4.773 40 0 HJABLO COc1ccc(C(=O)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000021959595 558456718 /nfs/dbraw/zinc/45/67/18/558456718.db2.gz UYEMZKXKPBFGSL-UHFFFAOYSA-N 1 2 422.475 4.521 40 0 HJABLO CC(=O)Nc1ccc(Oc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)C4CCC4)C3)c2)cc1 ZINC000019570103 558928866 /nfs/dbraw/zinc/92/88/66/558928866.db2.gz DCACIIOCWMRHGM-LJQANCHMSA-N 1 2 407.514 4.647 40 0 HJABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 ZINC000072350691 558947656 /nfs/dbraw/zinc/94/76/56/558947656.db2.gz PNKOYVPHSBTRTQ-NRFANRHFSA-N 1 2 417.557 4.515 40 0 HJABLO Cc1c(-c2csc(NC(=O)[C@@H](C)n3c4ccccc4[nH+]c3C(C)C)n2)cnn1C ZINC000019667014 558956722 /nfs/dbraw/zinc/95/67/22/558956722.db2.gz OMJMTTUJOWZMBL-CQSZACIVSA-N 1 2 408.531 4.525 40 0 HJABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 ZINC000072378991 558967862 /nfs/dbraw/zinc/96/78/62/558967862.db2.gz LNQNDXWKGLXDRR-OAQYLSRUSA-N 1 2 402.542 4.559 40 0 HJABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 ZINC000072378963 558967911 /nfs/dbraw/zinc/96/79/11/558967911.db2.gz UVVAYPJVZPYEEW-OAQYLSRUSA-N 1 2 402.542 4.730 40 0 HJABLO COc1ccc(C2(O)CC3CCC(C2)[NH+]3Cc2c3cccnc3[nH]c2C(C)(C)C)cc1 ZINC000072393634 558972961 /nfs/dbraw/zinc/97/29/61/558972961.db2.gz LQNOUHLSVPDEEH-ULZZTYQWSA-N 1 2 419.569 4.884 40 0 HJABLO C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)S1 ZINC000222623359 568521130 /nfs/dbraw/zinc/52/11/30/568521130.db2.gz YNDQMVXMFNNXHA-SSKFGXFMSA-N 1 2 403.555 4.528 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2cccc(Cc3ccccc3C)n2)C1 ZINC000257294844 568803007 /nfs/dbraw/zinc/80/30/07/568803007.db2.gz QVYWRVHUYMYBLD-AREMUKBSSA-N 1 2 418.585 4.949 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2cccc(Cc3ccccc3C)n2)C1 ZINC000257294844 568803009 /nfs/dbraw/zinc/80/30/09/568803009.db2.gz QVYWRVHUYMYBLD-AREMUKBSSA-N 1 2 418.585 4.949 40 0 HJABLO FC(F)(F)c1ccccc1Cc1cccc([C@H]2C[N@H+](Cc3ccncc3)CCO2)n1 ZINC000257302931 568805205 /nfs/dbraw/zinc/80/52/05/568805205.db2.gz SFAXXYLCHFTGDH-JOCHJYFZSA-N 1 2 413.443 4.660 40 0 HJABLO FC(F)(F)c1ccccc1Cc1cccc([C@H]2C[N@@H+](Cc3ccncc3)CCO2)n1 ZINC000257302931 568805207 /nfs/dbraw/zinc/80/52/07/568805207.db2.gz SFAXXYLCHFTGDH-JOCHJYFZSA-N 1 2 413.443 4.660 40 0 HJABLO CNc1nc(Nc2c(C)cc(Cl)cc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329012524 568972576 /nfs/dbraw/zinc/97/25/76/568972576.db2.gz MJRYEYQCWMOQEL-UHFFFAOYSA-N 1 2 422.838 4.942 40 0 HJABLO Brc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329049517 568974450 /nfs/dbraw/zinc/97/44/50/568974450.db2.gz UOWYNGQAGIQVDN-UHFFFAOYSA-N 1 2 409.331 4.848 40 0 HJABLO Cc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000329046035 568974506 /nfs/dbraw/zinc/97/45/06/568974506.db2.gz TZFRMLCMDXOYHP-UHFFFAOYSA-N 1 2 400.404 4.990 40 0 HJABLO O=C(Nc1cccc(Cl)c1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241802 569349601 /nfs/dbraw/zinc/34/96/01/569349601.db2.gz MCODONMWLQIULE-UHFFFAOYSA-N 1 2 419.956 4.910 40 0 HJABLO O=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038671613 571060600 /nfs/dbraw/zinc/06/06/00/571060600.db2.gz KHZCCYIODPZDAC-UHFFFAOYSA-N 1 2 413.525 4.512 40 0 HJABLO CC(C)(C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329004001 571305038 /nfs/dbraw/zinc/30/50/38/571305038.db2.gz KQKPAHBWISNWAU-UHFFFAOYSA-N 1 2 412.335 5.124 40 0 HJABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329003450 571306248 /nfs/dbraw/zinc/30/62/48/571306248.db2.gz KNLRPRMYZZYYOE-INIZCTEOSA-N 1 2 414.859 5.199 40 0 HJABLO Cc1cc(Br)cc(C)c1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000329008125 526155128 /nfs/dbraw/zinc/15/51/28/526155128.db2.gz LPQVCFGTLCLJFE-UHFFFAOYSA-N 1 2 401.352 4.675 40 0 HJABLO O=C(CSCc1c(Cl)cccc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000044847393 527021715 /nfs/dbraw/zinc/02/17/15/527021715.db2.gz LCEIMGMLSVCYRJ-UHFFFAOYSA-N 1 2 406.338 4.729 40 0 HJABLO Cc1[nH+]cc(NC(=O)c2ccc(F)c(F)c2)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615932 527300758 /nfs/dbraw/zinc/30/07/58/527300758.db2.gz LPVQENGQXOWQDG-UHFFFAOYSA-N 1 2 414.412 4.974 40 0 HJABLO Cc1[nH+]cc(NC(=O)c2ccccc2C)n1-c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000041124330 527301387 /nfs/dbraw/zinc/30/13/87/527301387.db2.gz WAMIKBJJNYCBRP-UHFFFAOYSA-N 1 2 418.478 4.594 40 0 HJABLO CCCc1[nH+]c2ccccc2n1CC(=O)N(c1c(C)cccc1CC)[C@H](C)COC ZINC000001470657 557269390 /nfs/dbraw/zinc/26/93/90/557269390.db2.gz CCHSEWZHECKFGV-LJQANCHMSA-N 1 2 407.558 4.928 40 0 HJABLO Cc1ccc2nc(Cc3ccc(NC(=O)[C@@H](c4ccc(F)cc4)[NH+](C)C)cc3)[nH]c2c1 ZINC000035316878 557691685 /nfs/dbraw/zinc/69/16/85/557691685.db2.gz NXYYCBBRVLONLB-XMMPIXPASA-N 1 2 416.500 4.843 40 0 HJABLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019755047 558274039 /nfs/dbraw/zinc/27/40/39/558274039.db2.gz RPVAAWGJVJAGOP-OAQYLSRUSA-N 1 2 408.452 4.653 40 0 HJABLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019755047 558274040 /nfs/dbraw/zinc/27/40/40/558274040.db2.gz RPVAAWGJVJAGOP-OAQYLSRUSA-N 1 2 408.452 4.653 40 0 HJABLO CCC(C)(C)n1nnnc1[C@@H](c1cccs1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000020098393 558331757 /nfs/dbraw/zinc/33/17/57/558331757.db2.gz HFGUZPUSTSLYOX-HXUWFJFHSA-N 1 2 411.550 4.898 40 0 HJABLO CCC(C)(C)n1nnnc1[C@@H](c1cccs1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000020098393 558331760 /nfs/dbraw/zinc/33/17/60/558331760.db2.gz HFGUZPUSTSLYOX-HXUWFJFHSA-N 1 2 411.550 4.898 40 0 HJABLO O=C(Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1)c1ccc(Cn2cc[nH+]c2)o1 ZINC000019293114 558864685 /nfs/dbraw/zinc/86/46/85/558864685.db2.gz QHUHADLWBMLJGK-UHFFFAOYSA-N 1 2 418.419 4.786 40 0 HJABLO COc1cc2c(cc1C[NH2+][C@@H](Cc1ccsc1)c1nc(C)c(C)s1)OCO2 ZINC000019559858 558921130 /nfs/dbraw/zinc/92/11/30/558921130.db2.gz QHIPJNQBTOLLHI-INIZCTEOSA-N 1 2 402.541 4.632 40 0 HJABLO C/C(Cl)=C/CNc1nc(-c2ccccn2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000072340128 558938937 /nfs/dbraw/zinc/93/89/37/558938937.db2.gz XPWVRBXPKVNCKH-SXGWCWSVSA-N 1 2 423.923 4.791 40 0 HJABLO C/C(Cl)=C/CNc1nc(-c2ccccn2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000072340128 558938939 /nfs/dbraw/zinc/93/89/39/558938939.db2.gz XPWVRBXPKVNCKH-SXGWCWSVSA-N 1 2 423.923 4.791 40 0 HJABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC(c2ccc(Cc3ccccc3)cn2)CC1 ZINC000019690466 558960085 /nfs/dbraw/zinc/96/00/85/558960085.db2.gz SUNVCZRBBNOESG-UHFFFAOYSA-N 1 2 424.548 4.577 40 0 HJABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)n1 ZINC000072374709 558962546 /nfs/dbraw/zinc/96/25/46/558962546.db2.gz AGSMNQVCXVMOBE-LJQANCHMSA-N 1 2 420.944 4.636 40 0 HJABLO Cc1ccc(C)c(NC(=O)[C@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)c1 ZINC000096037505 559091253 /nfs/dbraw/zinc/09/12/53/559091253.db2.gz XEBVNUUWXNEQQE-XMMPIXPASA-N 1 2 402.542 4.819 40 0 HJABLO CCn1c2ccccc2c2cc(NC(=O)c3cccc(C[NH+]4CCOCC4)c3)ccc21 ZINC000110670516 559175799 /nfs/dbraw/zinc/17/57/99/559175799.db2.gz CGCLMNVMJJERIY-UHFFFAOYSA-N 1 2 413.521 4.899 40 0 HJABLO O=C(C[NH+]1CCCCC1)Nc1sc2c(c1C(=O)c1ccccc1Cl)CCCC2 ZINC000004847596 560609525 /nfs/dbraw/zinc/60/95/25/560609525.db2.gz GSSYLJAYCHNZMC-UHFFFAOYSA-N 1 2 416.974 4.936 40 0 HJABLO CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222930191 568531384 /nfs/dbraw/zinc/53/13/84/568531384.db2.gz ATAVJQFNWSSTSC-PKTZIBPZSA-N 1 2 419.598 4.567 40 0 HJABLO O=c1[nH]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@H]2c1ccccc1F ZINC000027825111 568577265 /nfs/dbraw/zinc/57/72/65/568577265.db2.gz LZWGFHDBBNFLBM-OAQYLSRUSA-O 1 2 417.489 4.541 40 0 HJABLO FC(F)(F)c1cccc(Cc2ccc([C@H]3C[N@H+](Cc4cccnc4)CCO3)nc2)c1 ZINC000257295340 568803253 /nfs/dbraw/zinc/80/32/53/568803253.db2.gz QXXYJCCSKVSIFN-JOCHJYFZSA-N 1 2 413.443 4.660 40 0 HJABLO FC(F)(F)c1cccc(Cc2ccc([C@H]3C[N@@H+](Cc4cccnc4)CCO3)nc2)c1 ZINC000257295340 568803254 /nfs/dbraw/zinc/80/32/54/568803254.db2.gz QXXYJCCSKVSIFN-JOCHJYFZSA-N 1 2 413.443 4.660 40 0 HJABLO FC(F)(F)c1ccccc1Cc1cccc([C@H]2C[N@H+](Cc3cccnc3)CCO2)n1 ZINC000257314875 568808814 /nfs/dbraw/zinc/80/88/14/568808814.db2.gz UYXSVYLSKNZWFQ-JOCHJYFZSA-N 1 2 413.443 4.660 40 0 HJABLO FC(F)(F)c1ccccc1Cc1cccc([C@H]2C[N@@H+](Cc3cccnc3)CCO2)n1 ZINC000257314875 568808816 /nfs/dbraw/zinc/80/88/16/568808816.db2.gz UYXSVYLSKNZWFQ-JOCHJYFZSA-N 1 2 413.443 4.660 40 0 HJABLO CC[C@@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328973657 568970741 /nfs/dbraw/zinc/97/07/41/568970741.db2.gz FCCAKUXEHOIRSN-SNVBAGLBSA-N 1 2 400.832 4.704 40 0 HJABLO Cc1c(Br)cccc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329000003 568972041 /nfs/dbraw/zinc/97/20/41/568972041.db2.gz JYFJEYRRDMTJIK-UHFFFAOYSA-N 1 2 401.352 4.757 40 0 HJABLO CNc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329030815 568973691 /nfs/dbraw/zinc/97/36/91/568973691.db2.gz QGYJPKNMTSCVAF-UHFFFAOYSA-N 1 2 423.236 4.554 40 0 HJABLO Cc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CC[NH+]2CCOCC2)cc1 ZINC000016739426 569261918 /nfs/dbraw/zinc/26/19/18/569261918.db2.gz XIIWAEDVLLVDQE-GYHWCHFESA-N 1 2 413.974 4.743 40 0 HJABLO COc1cccc(-c2ccc([C@H]3C[N@H+](Cc4c(C)nn(C(C)C)c4C)CCO3)nc2)c1 ZINC000019693519 569346487 /nfs/dbraw/zinc/34/64/87/569346487.db2.gz JLVXQFVLVNWZPE-RUZDIDTESA-N 1 2 420.557 4.725 40 0 HJABLO COc1cccc(-c2ccc([C@H]3C[N@@H+](Cc4c(C)nn(C(C)C)c4C)CCO3)nc2)c1 ZINC000019693519 569346488 /nfs/dbraw/zinc/34/64/88/569346488.db2.gz JLVXQFVLVNWZPE-RUZDIDTESA-N 1 2 420.557 4.725 40 0 HJABLO Cc1cc2nc(CO[C@H]3C[N@H+](Cc4ccc(C(F)(F)F)cc4)C[C@H]3F)[nH]c2cc1C ZINC000096112347 291279564 /nfs/dbraw/zinc/27/95/64/291279564.db2.gz KKMAPTMKVOPAPC-XLIONFOSSA-N 1 2 421.438 4.938 40 0 biogenic,in-vitro HJABLO Cc1cc2nc(CO[C@H]3C[N@@H+](Cc4ccc(C(F)(F)F)cc4)C[C@H]3F)[nH]c2cc1C ZINC000096112347 291279566 /nfs/dbraw/zinc/27/95/66/291279566.db2.gz KKMAPTMKVOPAPC-XLIONFOSSA-N 1 2 421.438 4.938 40 0 biogenic,in-vitro HJABLO Fc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3cccs3)n2)cc1Cl ZINC000015707282 291280044 /nfs/dbraw/zinc/28/00/44/291280044.db2.gz HSADKYABIINPJY-KRWDZBQOSA-N 1 2 415.881 4.613 40 0 biogenic,in-vitro HJABLO Cc1[nH+]c2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000035315867 557691047 /nfs/dbraw/zinc/69/10/47/557691047.db2.gz LUILHNOEMRPSQB-UHFFFAOYSA-N 1 2 405.395 4.980 40 0 HJABLO Cc1ccn2cc(-c3cccc(NC(=O)[C@H](c4ccc(F)cc4)[NH+](C)C)c3)nc2c1 ZINC000035316888 557691594 /nfs/dbraw/zinc/69/15/94/557691594.db2.gz ODYUYJGAOXCPJR-QHCPKHFHSA-N 1 2 402.473 4.690 40 0 HJABLO CCc1[nH+]c2ccccc2n1C[C@H](C)C(=O)N[C@@H](c1cccs1)c1ccncc1 ZINC000019523276 558904443 /nfs/dbraw/zinc/90/44/43/558904443.db2.gz QSQYNNAPJALDIQ-KSFYIVLOSA-N 1 2 404.539 4.597 40 0 HJABLO Cc1[nH+]c2cc(NC(=O)c3cc(-c4cnn(C)c4C)on3)ccc2n1C1CCCCC1 ZINC000019554153 558917244 /nfs/dbraw/zinc/91/72/44/558917244.db2.gz QUPCHHNRBRJHTQ-UHFFFAOYSA-N 1 2 418.501 4.799 40 0 HJABLO COc1cccc(C[N@@H+]2CCC[C@H]2c2nnc(-c3nccc4ccccc43)o2)c1OC ZINC000019567861 558926962 /nfs/dbraw/zinc/92/69/62/558926962.db2.gz YBFYUNHQWUFWKF-IBGZPJMESA-N 1 2 416.481 4.639 40 0 HJABLO COc1cccc(C[N@H+]2CCC[C@H]2c2nnc(-c3nccc4ccccc43)o2)c1OC ZINC000019567861 558926964 /nfs/dbraw/zinc/92/69/64/558926964.db2.gz YBFYUNHQWUFWKF-IBGZPJMESA-N 1 2 416.481 4.639 40 0 HJABLO Nc1ccc(-c2ccc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)nc2)c[nH+]1 ZINC000019688963 558958372 /nfs/dbraw/zinc/95/83/72/558958372.db2.gz YZMUPKBMBBEVHY-OAQYLSRUSA-N 1 2 406.917 4.676 40 0 HJABLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccccc2F)nc2c1CCCN2Cc1ccccn1 ZINC000072373837 558961265 /nfs/dbraw/zinc/96/12/65/558961265.db2.gz GRZLWKHRQKMESA-HSZRJFAPSA-N 1 2 417.532 4.609 40 0 HJABLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccccc2F)nc2c1CCCN2Cc1ccccn1 ZINC000072373837 558961266 /nfs/dbraw/zinc/96/12/66/558961266.db2.gz GRZLWKHRQKMESA-HSZRJFAPSA-N 1 2 417.532 4.609 40 0 HJABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)Nc1cccc(Cl)c1)N(Cc1ccccc1)CC2 ZINC000096037488 559091225 /nfs/dbraw/zinc/09/12/25/559091225.db2.gz ORLRPXPFJDFGDP-JOCHJYFZSA-N 1 2 408.933 4.856 40 0 HJABLO Cc1nc(Cn2cc(-c3cc(C(=O)NCC(C)(C)C)c4ccccn34)[nH+]c2C)cs1 ZINC000096154966 559099286 /nfs/dbraw/zinc/09/92/86/559099286.db2.gz LAHXPRPXHWJBMP-UHFFFAOYSA-N 1 2 421.570 4.700 40 0 HJABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000072216680 559169515 /nfs/dbraw/zinc/16/95/15/559169515.db2.gz BQZHFNQQYZTIHC-JOCHJYFZSA-N 1 2 413.587 4.686 40 0 HJABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2c[nH+]c(N3CCCCC3)c(C)c2)cc1 ZINC000072219199 559169671 /nfs/dbraw/zinc/16/96/71/559169671.db2.gz ICSNMEXSFDKLPM-QFIPXVFZSA-N 1 2 413.587 4.605 40 0 HJABLO CC(C)(C)c1ccc(CS[C@@H]2CCCC[C@H]2OC(=O)CC[NH+]2CCOCC2)cc1 ZINC000022002192 560890797 /nfs/dbraw/zinc/89/07/97/560890797.db2.gz MRDDPWUIISWEEG-FGZHOGPDSA-N 1 2 419.631 4.794 40 0 HJABLO CC(=O)Nc1ccc(C(=O)C[NH+]2CCC3(C=Cc4cc(Cl)c(C)cc4O3)CC2)cc1 ZINC000057773703 568497278 /nfs/dbraw/zinc/49/72/78/568497278.db2.gz BZCXGCDUDUHNLI-UHFFFAOYSA-N 1 2 424.928 4.730 40 0 HJABLO O=C(CCc1ccc(Cl)c(Cl)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225333958 568629941 /nfs/dbraw/zinc/62/99/41/568629941.db2.gz AJVHVHNYJQNEDV-QPJJXVBHSA-N 1 2 403.353 4.784 40 0 HJABLO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCOCC4)cc3)CCCCC2)c1 ZINC000225539704 568648981 /nfs/dbraw/zinc/64/89/81/568648981.db2.gz VPUZDFGJNZDXTN-UHFFFAOYSA-N 1 2 422.569 4.547 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000257325424 568812008 /nfs/dbraw/zinc/81/20/08/568812008.db2.gz WSXAZGAKUKRHNZ-XMMPIXPASA-N 1 2 408.521 4.855 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000257325424 568812009 /nfs/dbraw/zinc/81/20/09/568812009.db2.gz WSXAZGAKUKRHNZ-XMMPIXPASA-N 1 2 408.521 4.855 40 0 HJABLO COc1ccccc1/C=C/CN1CCO[C@@H](c2ccc(Nc3cccc(C)[nH+]3)cn2)C1 ZINC000257341979 568816696 /nfs/dbraw/zinc/81/66/96/568816696.db2.gz ZMPMZJRSQDDWLJ-CCWPHWCFSA-N 1 2 416.525 4.624 40 0 HJABLO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NCc3ccccc3)[nH+]cn1)CC2 ZINC000329027011 568973511 /nfs/dbraw/zinc/97/35/11/568973511.db2.gz PQASEDIPQVTJLG-UHFFFAOYSA-N 1 2 400.404 4.550 40 0 HJABLO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NCc3ccccc3)nc[nH+]1)CC2 ZINC000329027011 568973513 /nfs/dbraw/zinc/97/35/13/568973513.db2.gz PQASEDIPQVTJLG-UHFFFAOYSA-N 1 2 400.404 4.550 40 0 HJABLO CC(C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329033715 568973853 /nfs/dbraw/zinc/97/38/53/568973853.db2.gz QUZLIIHMGGSBMB-UHFFFAOYSA-N 1 2 415.257 4.543 40 0 HJABLO CNc1nc(Nc2ccc(C)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329061280 568975182 /nfs/dbraw/zinc/97/51/82/568975182.db2.gz WQEBJVJZLOERRW-UHFFFAOYSA-N 1 2 408.811 4.633 40 0 HJABLO CC(C)(C)Nc1nc(NCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329053194 571304871 /nfs/dbraw/zinc/30/48/71/571304871.db2.gz VELLGMHCEKSSFC-UHFFFAOYSA-N 1 2 417.435 5.260 40 0 HJABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329006310 571306322 /nfs/dbraw/zinc/30/63/22/571306322.db2.gz LCUVVLXOIZQCEJ-INIZCTEOSA-N 1 2 414.859 5.199 40 0 HJABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 ZINC000072378964 519878487 /nfs/dbraw/zinc/87/84/87/519878487.db2.gz UVVAYPJVZPYEEW-NRFANRHFSA-N 1 2 402.542 4.730 40 0 HJABLO Cc1[nH+]cc(NC(=O)Cc2ccc(F)cc2)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615888 527294839 /nfs/dbraw/zinc/29/48/39/527294839.db2.gz DJROWHLTSSCPPX-UHFFFAOYSA-N 1 2 410.449 4.764 40 0 HJABLO Cc1cnccc1C[N@H+]1CCC[C@@H]1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1 ZINC000019239523 558858181 /nfs/dbraw/zinc/85/81/81/558858181.db2.gz QARPJMRDPWWZLG-GOSISDBHSA-N 1 2 403.452 4.912 40 0 HJABLO Cc1cnccc1C[N@@H+]1CCC[C@@H]1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1 ZINC000019239523 558858182 /nfs/dbraw/zinc/85/81/82/558858182.db2.gz QARPJMRDPWWZLG-GOSISDBHSA-N 1 2 403.452 4.912 40 0 HJABLO Cc1nn(C[C@H](C)c2cc(NCCCOc3cccc(C)c3)nc(C)[nH+]2)c(C)c1C ZINC000072373190 558961067 /nfs/dbraw/zinc/96/10/67/558961067.db2.gz XSDOGNHOKRUEPV-KRWDZBQOSA-N 1 2 407.562 4.900 40 0 HJABLO CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000019697535 558965129 /nfs/dbraw/zinc/96/51/29/558965129.db2.gz OSBPXUQFFXSEHP-IBGZPJMESA-N 1 2 412.530 4.752 40 0 HJABLO CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000019697535 558965132 /nfs/dbraw/zinc/96/51/32/558965132.db2.gz OSBPXUQFFXSEHP-IBGZPJMESA-N 1 2 412.530 4.752 40 0 HJABLO CCOC(=O)c1c[nH+]c2ccc(C(=O)OC)cc2c1N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000049581309 560807611 /nfs/dbraw/zinc/80/76/11/560807611.db2.gz WUHRBTQZVLIGIB-FYSMJZIKSA-N 1 2 410.514 4.603 40 0 HJABLO COc1cc(C)c(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1C(C)C ZINC000224979414 568607317 /nfs/dbraw/zinc/60/73/17/568607317.db2.gz QACXKGUZQRMACK-UHFFFAOYSA-N 1 2 402.560 4.918 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000257223401 568783034 /nfs/dbraw/zinc/78/30/34/568783034.db2.gz DXEHPFCCHWIDJT-SANMLTNESA-N 1 2 418.585 4.949 40 0 HJABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000257223401 568783035 /nfs/dbraw/zinc/78/30/35/568783035.db2.gz DXEHPFCCHWIDJT-SANMLTNESA-N 1 2 418.585 4.949 40 0 HJABLO FC(F)(F)c1ccccc1Cc1cccc([C@@H]2C[N@H+](Cc3ccncc3)CCO2)n1 ZINC000257302932 568805236 /nfs/dbraw/zinc/80/52/36/568805236.db2.gz SFAXXYLCHFTGDH-QFIPXVFZSA-N 1 2 413.443 4.660 40 0 HJABLO FC(F)(F)c1ccccc1Cc1cccc([C@@H]2C[N@@H+](Cc3ccncc3)CCO2)n1 ZINC000257302932 568805237 /nfs/dbraw/zinc/80/52/37/568805237.db2.gz SFAXXYLCHFTGDH-QFIPXVFZSA-N 1 2 413.443 4.660 40 0 HJABLO CC[C@@H](C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329013542 568972617 /nfs/dbraw/zinc/97/26/17/568972617.db2.gz MQIXHSBQHVWISW-OAHLLOKOSA-N 1 2 411.347 4.572 40 0 HJABLO Cc1cc(OC(F)(F)F)ccc1Nc1cc(C2CC2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329021753 568973070 /nfs/dbraw/zinc/97/30/70/568973070.db2.gz OIOURROIELLTDJ-QGZVFWFLSA-N 1 2 410.440 4.733 40 0 HJABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1C(F)(F)F ZINC000329040319 568974203 /nfs/dbraw/zinc/97/42/03/568974203.db2.gz SDILOVUFJDFGJG-UHFFFAOYSA-N 1 2 406.452 4.713 40 0 HJABLO CC[C@H](C)Nc1nc(NCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329065352 568975389 /nfs/dbraw/zinc/97/53/89/568975389.db2.gz XQLPFBDCUFNQOV-HNNXBMFYSA-N 1 2 416.447 4.709 40 0 HJABLO O=C(COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccccc1Cl ZINC000008433908 569341000 /nfs/dbraw/zinc/34/10/00/569341000.db2.gz TXVCAJDZNIWXFV-UHFFFAOYSA-N 1 2 422.912 4.524 40 0 HJABLO